3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid

C14H13NO3 — CID 114280879

IUPAC3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid
SMILESCOc1ccc(-c2cc(C)cc(C(=O)O)c2)nc1
InChIInChI=1S/C14H13NO3/c1-9-5-10(7-11(6-9)14(16)17)13-4-3-12(18-2)8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyQLOBDECRSLRUCP-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.76
Rot. Bonds3

About 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid

3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid (PubChem CID 114280879) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid
PubChem CID114280879
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid
SMILESCOc1ccc(-c2cc(C)cc(C(=O)O)c2)nc1
InChIInChI=1S/C14H13NO3/c1-9-5-10(7-11(6-9)14(16)17)13-4-3-12(18-2)8-15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyQLOBDECRSLRUCP-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-methoxy-2-pyridinyl)-5-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-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
3-(2-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzoic acid;hydrochloride
CID 170985256
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
2-[3-(5-methoxy-2-pyridinyl)phenyl]propan-2-ol
CID 90271580
3-(5-methyl-2-pyridinyl)-5-nitrobenzoic acid
CID 90329551
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
3-(3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336054
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
3-[2-(diethylamino)-2-hydroxyethyl]-5-(5-methyl-2-pyridinyl)benzoic acid
CID 67523357
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid (CID 114280879) is 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid is COc1ccc(-c2cc(C)cc(C(=O)O)c2)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid?
The InChIKey is QLOBDECRSLRUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-5-10(7-11(6-9)14(16)17)13-4-3-12(18-2)8-15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid?
3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid is sourced from PubChem (CID 114280879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).