1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid

C14H11NO6 — CID 135032453

IUPAC1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)O
InChIInChI=1S/C14H11NO6/c16-9-6-10(17)15(7-8-4-2-1-3-5-8)12(14(20)21)11(9)13(18)19/h1-6,16H,7H2,(H,18,19)(H,20,21)
InChIKeyGKOSLHDHLWFECZ-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.00
Rot. Bonds4

About 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid

1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid (PubChem CID 135032453) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid
PubChem CID135032453
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)O
InChIInChI=1S/C14H11NO6/c16-9-6-10(17)15(7-8-4-2-1-3-5-8)12(14(20)21)11(9)13(18)19/h1-6,16H,7H2,(H,18,19)(H,20,21)
InChIKeyGKOSLHDHLWFECZ-UHFFFAOYSA-N
XLogP1.00
TPSA116.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764224
2-[(1-Benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
CID 54749083
1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 18179616
2-[2-(4-Fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid
CID 67708820
1-Benzyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118023046
1-[(4-Fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carboxylic acid
CID 141112554
2-(4-Fluorophenyl)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 174881381
7-Hydroxy-5-oxo-6-phenyl-1,2,3-trihydroindolizine-8-carboxylic acid
CID 54691178
Dimethyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135003562
Dimethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135003783
Ditert-butyl 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135032454
5-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54733071

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid?
The IUPAC name of 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid (CID 135032453) is 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid?
The canonical SMILES for 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid is O=C(O)c1c(O)cc(=O)n(Cc2ccccc2)c1C(=O)O.
What is the InChIKey of 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid?
The InChIKey is GKOSLHDHLWFECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-9-6-10(17)15(7-8-4-2-1-3-5-8)12(14(20)21)11(9)13(18)19/h1-6,16H,7H2,(H,18,19)(H,20,21).
What are the key properties of 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid?
1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid has a molecular weight of 289.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-6-oxopyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 135032453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).