1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 82108099

IUPAC1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)9-19-15-8-2-3-12(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyVWBPRTZHMKMIDO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.48
Rot. Bonds4

About 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid

1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid (PubChem CID 82108099) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
PubChem CID82108099
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(COn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)9-19-15-8-2-3-12(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyVWBPRTZHMKMIDO-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

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Related Compounds

1-[(4-ethoxycarbonylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid
CID 82108106
1-[(4-methylphenyl)methoxy]-2-oxo-N-phenylpyridine-3-carboxamide
CID 110383127
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
N-(4-carbamoylphenyl)-1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382843
2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 82108139
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
N-(3,5-dimethylphenyl)-1-[(4-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382787
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 4058781
methyl 2-[[1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7189982
N-(3-acetylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 40505024
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid (CID 82108099) is 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid is Cc1ccc(COn2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
The InChIKey is VWBPRTZHMKMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10-4-6-11(7-5-10)9-19-15-8-2-3-12(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 1-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid?
1-[(4-methylphenyl)methoxy]-2-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-[(4-methylphenyl)methoxy]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).