2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid

C14H13NO2 — CID 7285295

IUPAC2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H13NO2/c1-9-3-5-11(6-4-9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyIGFOZSKLXZPYAD-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid

2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 7285295) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
PubChem CID7285295
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H13NO2/c1-9-3-5-11(6-4-9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyIGFOZSKLXZPYAD-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(4-methylphenyl)pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid (CID 7285295) is 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is IGFOZSKLXZPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-3-5-11(6-4-9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid?
2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 7285295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).