5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid

C13H11NO3 — CID 69044636

IUPAC5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H11NO3/c15-12-10(6-7-11(14-12)13(16)17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyXPMWCAVWSILKNK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.66
Rot. Bonds3

About 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid

5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 69044636) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID69044636
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H11NO3/c15-12-10(6-7-11(14-12)13(16)17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyXPMWCAVWSILKNK-UHFFFAOYSA-N
XLogP1.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57435157
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5-[(2-carbamoylaziridin-1-yl)methyl]-6-oxo-1H-pyridine-2-carboxylic acid
CID 21241779
3,4-dibenzyl-1H-pyrrole
CID 4984366
5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
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1-(5-benzyl-1H-pyrrol-2-yl)ethanone
CID 156581411
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
2-benzyl-4-fluorobenzoic acid
CID 68960960
2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 69044636) is 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1ccc(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is XPMWCAVWSILKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-10(6-7-11(14-12)13(16)17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)(H,16,17).
What are the key properties of 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 69044636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).