6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid

C13H10FNO2S — CID 117032188

IUPAC6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Sc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H10FNO2S/c1-8-6-10(14)3-4-11(8)18-12-5-2-9(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyGPJBOHPZMTZIBU-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.38
Rot. Bonds3

About 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid

6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 117032188) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID117032188
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1cc(F)ccc1Sc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H10FNO2S/c1-8-6-10(14)3-4-11(8)18-12-5-2-9(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyGPJBOHPZMTZIBU-UHFFFAOYSA-N
XLogP3.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzoic acid
CID 63513166
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
4-[(5-fluoro-2-pyridinyl)sulfanyl]benzoic acid
CID 61311578
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627
6-(4-acetylphenyl)sulfanylpyridine-3-carboxylic acid
CID 61329285
4-bromo-2-[(5-fluoro-2-pyridinyl)sulfanyl]benzoic acid
CID 113298491
6-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 106875322
6-(5-fluoro-4-iodo-2-nitrophenyl)sulfanylpyridine-3-carboxylic acid
CID 66086564
6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81293505
3-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921121
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid (CID 117032188) is 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid is Cc1cc(F)ccc1Sc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is GPJBOHPZMTZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c1-8-6-10(14)3-4-11(8)18-12-5-2-9(7-15-12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 117032188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).