6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid
6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid structure
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Common Name | 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid | ||
|---|---|---|---|---|
| CAS Number | 99902-98-4 | Molecular Weight | 320.14900 | |
| Density | 1.601g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C11H7Cl2NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.601g/cm3 |
|---|---|
| Molecular Formula | C11H7Cl2NO4S |
| Molecular Weight | 320.14900 |
| Exact Mass | 318.94700 |
| PSA | 84.87000 |
| LogP | 4.50820 |
| Index of Refraction | 1.628 |
| InChIKey | LZMFWYIRBNUPOE-UHFFFAOYSA-N |
| SMILES | O=S(=O)(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
6-(3,4-dichloro... CAS#:99902-98-4 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
|
~%
6-(3,4-dichloro... CAS#:99902-98-4 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
|
~%
6-(3,4-dichloro... CAS#:99902-98-4 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
|
~%
6-(3,4-dichloro... CAS#:99902-98-4 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-2
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL799620
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Name: Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtain...
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL800918
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Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-1A
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL800917
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|
Name: Cytotoxicity concentration in HeLa cells
Source: ChEMBL
Target: HeLa
External Id: CHEMBL641837
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Name: Lowest concentration to reduce viral effect by 50% or more against coxsackie virus A2...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL665061
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: LogP of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is 4.50820. |
| Q: What is the polar surface area (PSA) of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: Polar surface area (PSA) of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is 84.87000. |
| Q: What is the InChIKey of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: InChIKey of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is LZMFWYIRBNUPOE-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: Molecular formula of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is C11H7Cl2NO4S. |
| Q: What is the molecular weight of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: Molecular weight of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is 320.14900. |
| Q: What is the CAS number of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: CAS number of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is 99902-98-4. |
| Q: What are the upstream materials of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: Related upstream materials(CAS) of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid: 4548-45-2;95-77-2;25935-30-2. |
| Q: What is the SMILES notation of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: SMILES notation of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is O=S(=O)(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1. |
| Q: What is the Chinese name of 99902-98-4? |
| A: Chinese name of 99902-98-4 is 99902-98-4. |
| Q: What is the English name of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid? |
| A: The English name of 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid is 6-(3,4-dichlorophenoxy)pyridine-3-sulfonic acid. |