3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid

C15H15NO3 — CID 107525186

IUPAC3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(-c2cccnc2C(=O)O)ccc(C)c1C
InChIInChI=1S/C15H15NO3/c1-9-6-7-12(14(19-3)10(9)2)11-5-4-8-16-13(11)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyNMRBDOHOGKRCLS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.07
Rot. Bonds3

About 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid

3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid (PubChem CID 107525186) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid
PubChem CID107525186
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(-c2cccnc2C(=O)O)ccc(C)c1C
InChIInChI=1S/C15H15NO3/c1-9-6-7-12(14(19-3)10(9)2)11-5-4-8-16-13(11)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyNMRBDOHOGKRCLS-UHFFFAOYSA-N
XLogP3.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxy-3,4-dimethylphenyl)pyridine-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

3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
CID 107525139
5-(2-methoxy-3,4-dimethylphenyl)furan-2-carboxylic acid
CID 103434041
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
3-(2,5-diethylphenyl)pyridine-2-carboxylic acid
CID 107525268
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid (CID 107525186) is 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid is COc1c(-c2cccnc2C(=O)O)ccc(C)c1C.
What is the InChIKey of 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid?
The InChIKey is NMRBDOHOGKRCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-6-7-12(14(19-3)10(9)2)11-5-4-8-16-13(11)15(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid?
3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3,4-dimethylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 107525186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).