4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid

C14H12ClNO2 — CID 90009122

IUPAC4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1cnc(C)c(Cl)c1
InChIInChI=1S/C14H12ClNO2/c1-8-5-10(14(17)18)3-4-12(8)11-6-13(15)9(2)16-7-11/h3-7H,1-2H3,(H,17,18)
InChIKeyWPGKJCFWWRCZPH-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.72
Rot. Bonds2

About 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid

4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid (PubChem CID 90009122) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid
PubChem CID90009122
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1cnc(C)c(Cl)c1
InChIInChI=1S/C14H12ClNO2/c1-8-5-10(14(17)18)3-4-12(8)11-6-13(15)9(2)16-7-11/h3-7H,1-2H3,(H,17,18)
InChIKeyWPGKJCFWWRCZPH-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic 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-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
1-[4-[5-chloro-6-(hydroxymethyl)-3-pyridinyl]-3-methylphenyl]-2-methylsulfonylethanone
CID 159410962
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-[4-(dimethylcarbamoyl)phenyl]-3-methylbenzoic acid
CID 53227797
butyl 4-(5-chloro-6-methoxy-3-pyridinyl)-3-methylbenzoate
CID 130277906
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid?
The IUPAC name of 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid (CID 90009122) is 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-c1cnc(C)c(Cl)c1.
What is the InChIKey of 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid?
The InChIKey is WPGKJCFWWRCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-5-10(14(17)18)3-4-12(8)11-6-13(15)9(2)16-7-11/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid?
4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid has a molecular weight of 261.71 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid is sourced from PubChem (CID 90009122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).