1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 22309095

IUPAC1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccccc1Cn1cccc(C(=O)O)c1=O
InChIInChI=1S/C14H13NO4/c1-19-12-7-3-2-5-10(12)9-15-8-4-6-11(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIAAZIARBDNDIMG-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.60
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid

1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 22309095) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID22309095
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccccc1Cn1cccc(C(=O)O)c1=O
InChIInChI=1S/C14H13NO4/c1-19-12-7-3-2-5-10(12)9-15-8-4-6-11(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIAAZIARBDNDIMG-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82117381
2-[[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745786
2-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745787
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
(E)-3-[1-[(2-methoxyphenyl)methyl]pyrrol-2-yl]prop-2-enamide
CID 170878136
2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 43470471
N-(2-methoxy-5-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382319
9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 56617934
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
1-[(2-methoxyphenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541602
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid (CID 22309095) is 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid is COc1ccccc1Cn1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is IAAZIARBDNDIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-12-7-3-2-5-10(12)9-15-8-4-6-11(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid?
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22309095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).