4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid

C14H13NO2S — CID 43326175

IUPAC4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1ccc(Sc2ccnc(C(=O)O)c2)c(C)c1
InChIInChI=1S/C14H13NO2S/c1-9-3-4-13(10(2)7-9)18-11-5-6-15-12(8-11)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyQMTHLSPXHUHWSW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.55
Rot. Bonds3

About 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid

4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 43326175) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID43326175
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1ccc(Sc2ccnc(C(=O)O)c2)c(C)c1
InChIInChI=1S/C14H13NO2S/c1-9-3-4-13(10(2)7-9)18-11-5-6-15-12(8-11)14(16)17/h3-8H,1-2H3,(H,16,17)
InChIKeyQMTHLSPXHUHWSW-UHFFFAOYSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554477
4-(5-methylpyrimidin-2-yl)sulfanylpyridine-2-carboxylic acid
CID 61382658
4-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554724
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79554237
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 105366580
4-(4-tert-butylphenyl)sulfanylpyridine-2-carboxylic acid
CID 43330711
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
4-[2-fluoro-4-(trifluoromethyl)phenyl]sulfanylpyridine-2-carboxylic acid
CID 107303411
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
CID 79554707

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid (CID 43326175) is 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid is Cc1ccc(Sc2ccnc(C(=O)O)c2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is QMTHLSPXHUHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9-3-4-13(10(2)7-9)18-11-5-6-15-12(8-11)14(16)17/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 43326175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).