3-(1-Methyl-1H-pyrrol-2-yl)pyridine

Modify Date: 2026-07-01 21:14:10

3-(1-Methyl-1H-pyrrol-2-yl)pyridine structure	Common Name	3-(1-Methyl-1H-pyrrol-2-yl)pyridine
	CAS Number	487-19-4	Molecular Weight	158.200
	Density	1.0±0.1 g/cm3	Boiling Point	282.8±15.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₁₀N₂	Melting Point	N/A
	MSDS	N/A	Flash Point	124.8±20.4 °C

Use of 3-(1-Methyl-1H-pyrrol-2-yl)pyridine

β-Nicotyrine is a metabolite of Nicotine.β-Nicotyrine, isolated from the leaves of Nicotiana tabacum plants and from cigarette smoke condensate, is a minor tobacco alkaloid[1].

Summary: Nicotyrine (β-Nicotyrine, 3-(1-Methyl-1H-pyrrol-2-yl)pyridine), CAS No. 487-19-4, molecular formula C10H10N2, molecular weight 158.200, for research-use only, not for medical or clinical usage.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	β-Nicotyrine
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	β-Nicotyrine is a metabolite of Nicotine.β-Nicotyrine, isolated from the leaves of Nicotiana tabacum plants and from cigarette smoke condensate, is a minor tobacco alkaloid[1].
Related Catalog	Research Areas >> Neurological Disease
References	[1]. Xiaochen Wei, et al. An Improved Synthesis of β-Nicotyrine from the Dehydrogenation of Nicotine: Comparison of Conventional and Microwave-Assisted Reactions. Synthetic Communications. 2003. Volume 33, Issue 19.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.0±0.1 g/cm3
Boiling Point	282.8±15.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₀N₂
Molecular Weight	158.200
Flash Point	124.8±20.4 °C
Exact Mass	158.084396
PSA	17.82000
LogP	1.80
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.581
InChIKey	RYFOJXFXERAMLS-UHFFFAOYSA-N
SMILES	Cn1cccc1-c1cccnc1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UT6130000

CHEMICAL NAME :: Pyridine, 3-(1-methyl-2-pyrrolyl)-

CAS REGISTRY NUMBER :: 487-19-4

BEILSTEIN REFERENCE NO. :: 0121347

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H10-N2

MOLECULAR WEIGHT :: 158.22

WISWESSER LINE NOTATION :: T6NJ C- BT5NJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 575 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4065561

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 191 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 65,366,1982

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Displacement of [3H]alpha-bungarotoxin from nAChR in honeybee head membrane after 60 ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3075134

Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist

Name: Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head...
Source: ChEMBL
Target: Neuronal acetylcholine receptor subunit alpha-7-like precursor
External Id: CHEMBL3075135

Name: Inhibition of Musca domestica (house fly) acetylcholinesterase
Source: ChEMBL
Target: Carboxylic ester hydrolase
External Id: CHEMBL3075136

Name: Disocciation constant, pKa of the compound at 25 degC
Source: ChEMBL
Target: N/A
External Id: CHEMBL3075137

Name: Insecticidal activity against Musca domestica (house fly) assessed as mortality relat...
Source: ChEMBL
Target: Musca domestica
External Id: CHEMBL3075138

Name: Selectivity index, ratio of IC50 for inhibition of human CYP3A4 assessed as reduction...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4422402

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: Inhibition of CYP3A4 in human liver microsomes assessed as reduction in enzyme-mediat...
Source: ChEMBL
Target: Cytochrome P450 3A4
External Id: CHEMBL4422403

Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry

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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-(1-methylpyrrol-2-yl)pyridine

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does β-Nicotyrine have?

A: English synonyms of β-Nicotyrine: 3-(1-methylpyrrol-2-yl)pyridine.

Q: What is the InChIKey of β-Nicotyrine?

A: InChIKey of β-Nicotyrine is RYFOJXFXERAMLS-UHFFFAOYSA-N.

Q: What is the polar surface area (PSA) of β-Nicotyrine?

A: Polar surface area (PSA) of β-Nicotyrine is 17.82000.

Q: What are the uses of β-Nicotyrine?

A: Main uses of β-Nicotyrine: β-Nicotyrine is a metabolite of Nicotine.β-Nicotyrine, isolated from the leaves of Nicotiana tabacum plants and from cigarette smoke condensate, is a minor tobacco alkaloid[1].

Q: What is the molecular formula of β-Nicotyrine?

A: Molecular formula of β-Nicotyrine is C10H10N2.

Q: What is the SMILES notation of β-Nicotyrine?

A: SMILES notation of β-Nicotyrine is Cn1cccc1-c1cccnc1.

Q: What is the LogP of β-Nicotyrine?

A: LogP of β-Nicotyrine is 1.80.

Q: What is the molecular weight of β-Nicotyrine?

A: Molecular weight of β-Nicotyrine is 158.200.

Q: What is the CAS number of β-Nicotyrine?

A: CAS number of β-Nicotyrine is 487-19-4.

Q: What is the English name of β-Nicotyrine?

A: The English name of β-Nicotyrine is β-Nicotyrine.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-(1-Methyl-1H-pyrrol-2-yl)pyridine
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Pyridine,3-(1-methyl-1H-pyrrol-2-yl)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Use of 3-(1-Methyl-1H-pyrrol-2-yl)pyridine

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