1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 82108186

IUPAC1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESCc1cccc(COn2cc(C(=O)O)ccc2=O)c1
InChIInChI=1S/C14H13NO4/c1-10-3-2-4-11(7-10)9-19-15-8-12(14(17)18)5-6-13(15)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOKICNVAGQFSKNZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.48
Rot. Bonds4

About 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid

1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108186) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
PubChem CID82108186
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid
SMILESCc1cccc(COn2cc(C(=O)O)ccc2=O)c1
InChIInChI=1S/C14H13NO4/c1-10-3-2-4-11(7-10)9-19-15-8-12(14(17)18)5-6-13(15)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOKICNVAGQFSKNZ-UHFFFAOYSA-N
XLogP1.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylphenyl)methoxy]-6-oxopyridine-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 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid (CID 82108186) is 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid is Cc1cccc(COn2cc(C(=O)O)ccc2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
The InChIKey is OKICNVAGQFSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10-3-2-4-11(7-10)9-19-15-8-12(14(17)18)5-6-13(15)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid?
1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methoxy]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).