3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid

C14H12ClNO2S — CID 28524706

IUPAC3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1ccc(Sc2ccc(Cl)c(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H12ClNO2S/c1-8-3-5-11(9(2)7-8)19-12-6-4-10(15)13(16-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyUFLHAIRUISNWOU-UHFFFAOYSA-N
MW293.78 g/mol
LogP4.20
Rot. Bonds3

About 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid

3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 28524706) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID28524706
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid
SMILESCc1ccc(Sc2ccc(Cl)c(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H12ClNO2S/c1-8-3-5-11(9(2)7-8)19-12-6-4-10(15)13(16-12)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyUFLHAIRUISNWOU-UHFFFAOYSA-N
XLogP4.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid (CID 28524706) is 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid is Cc1ccc(Sc2ccc(Cl)c(C(=O)O)n2)c(C)c1.
What is the InChIKey of 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is UFLHAIRUISNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-8-3-5-11(9(2)7-8)19-12-6-4-10(15)13(16-12)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid?
3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 293.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dimethylphenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 28524706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).