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

C13H11NO2S — CID 11644442

IUPAC2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1ccccc1Sc1ncccc1C(=O)O
InChIInChI=1S/C13H11NO2S/c1-9-5-2-3-7-11(9)17-12-10(13(15)16)6-4-8-14-12/h2-8H,1H3,(H,15,16)
InChIKeyYYYVTJQBWIYONL-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds3

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

2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 11644442) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID11644442
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
SMILESCc1ccccc1Sc1ncccc1C(=O)O
InChIInChI=1S/C13H11NO2S/c1-9-5-2-3-7-11(9)17-12-10(13(15)16)6-4-8-14-12/h2-8H,1H3,(H,15,16)
InChIKeyYYYVTJQBWIYONL-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 63379837
3-[(3-methyl-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 175595253
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-[2-(aminomethyl)-3-bromophenyl]sulfanylpyridine-3-carboxylic acid;hydrochloride
CID 175602630
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylbenzoic acid
CID 107112696
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid (CID 11644442) is 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid is Cc1ccccc1Sc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is YYYVTJQBWIYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-9-5-2-3-7-11(9)17-12-10(13(15)16)6-4-8-14-12/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid?
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 11644442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).