6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid

C13H12N2O2S — CID 107645121

IUPAC6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
SMILESCSc1ccccc1Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O2S/c1-18-11-5-3-2-4-10(11)15-12-7-6-9(8-14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyXKJWKNSEZUFMHJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.25
Rot. Bonds4

About 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid

6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid (PubChem CID 107645121) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
PubChem CID107645121
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
SMILESCSc1ccccc1Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O2S/c1-18-11-5-3-2-4-10(11)15-12-7-6-9(8-14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyXKJWKNSEZUFMHJ-UHFFFAOYSA-N
XLogP3.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
CID 107645154
6-(2-methylanilino)pyridine-3-carbonyl chloride
CID 151910424
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid (CID 107645121) is 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid is CSc1ccccc1Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid?
The InChIKey is XKJWKNSEZUFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-11-5-3-2-4-10(11)15-12-7-6-9(8-14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid?
6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107645121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).