2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid

C12H8ClNO2S — CID 2545752

IUPAC2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C12H8ClNO2S/c13-9-5-1-2-6-10(9)17-11-8(12(15)16)4-3-7-14-11/h1-7H,(H,15,16)
InChIKeyYMCMJFXYOSGRJU-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.58
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid

2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 2545752) has the molecular formula C12H8ClNO2S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID2545752
Molecular FormulaC12H8ClNO2S
Molecular Weight265.72 g/mol
Exact Mass265.00
IUPAC Name2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C12H8ClNO2S/c13-9-5-1-2-6-10(9)17-11-8(12(15)16)4-3-7-14-11/h1-7H,(H,15,16)
InChIKeyYMCMJFXYOSGRJU-UHFFFAOYSA-N
XLogP3.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid (CID 2545752) is 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid is O=C(O)c1cccnc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is YMCMJFXYOSGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2S/c13-9-5-1-2-6-10(9)17-11-8(12(15)16)4-3-7-14-11/h1-7H,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid?
2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 265.72 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 2545752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).