6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid

C12H10N2O2S — CID 62702619

IUPAC6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2ccccn2)n1
InChIInChI=1S/C12H10N2O2S/c1-8-5-6-9(12(15)16)11(14-8)17-10-4-2-3-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyVCECTSYOWFVITN-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.63
Rot. Bonds3

About 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid

6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid (PubChem CID 62702619) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
PubChem CID62702619
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2ccccn2)n1
InChIInChI=1S/C12H10N2O2S/c1-8-5-6-9(12(15)16)11(14-8)17-10-4-2-3-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyVCECTSYOWFVITN-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
4,6-dimethyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 60677502
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
2-tert-butylsulfanyl-6-methylpyridine-3-carboxylic acid
CID 62701421
6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 62848956
4-chloro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63083040
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733
2-phenyl-4-pyridin-2-ylsulfanylbenzoic acid
CID 23436249
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
6-methyl-2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid
CID 63238601
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid (CID 62702619) is 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Sc2ccccn2)n1.
What is the InChIKey of 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid?
The InChIKey is VCECTSYOWFVITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-8-5-6-9(12(15)16)11(14-8)17-10-4-2-3-7-13-10/h2-7H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid?
6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 62702619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).