1-benzyl-6-oxopyridine-3-carboxylic acid

C13H11NO3 — CID 2764224

IUPAC1-benzyl-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyLDTBMEOGSQFGDK-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.59
Rot. Bonds3

About 1-benzyl-6-oxopyridine-3-carboxylic acid

1-benzyl-6-oxopyridine-3-carboxylic acid (PubChem CID 2764224) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-benzyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-oxopyridine-3-carboxylic acid
PubChem CID2764224
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-benzyl-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyLDTBMEOGSQFGDK-UHFFFAOYSA-N
XLogP1.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-6-oxopyridine-3-carboxylic acid (CID 2764224) is 1-benzyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is LDTBMEOGSQFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 1-benzyl-6-oxopyridine-3-carboxylic acid?
1-benzyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 2764224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).