5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid

C14H11NO4 — CID 21453648

IUPAC5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]cc(C(=O)O)c(=O)c1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO4/c1-8-11(12(16)9-5-3-2-4-6-9)13(17)10(7-15-8)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyFQOUMUAOUQYLIC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.61
Rot. Bonds3

About 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid

5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 21453648) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
PubChem CID21453648
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]cc(C(=O)O)c(=O)c1C(=O)c1ccccc1
InChIInChI=1S/C14H11NO4/c1-8-11(12(16)9-5-3-2-4-6-9)13(17)10(7-15-8)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyFQOUMUAOUQYLIC-UHFFFAOYSA-N
XLogP1.61
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone
CID 123536363
2-benzoyl-3-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 18672006
4-acetyl-5-methyl-1H-pyrrole-3-carboxylic acid
CID 57357248
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
diphenylmethanone;ethane
CID 158014879
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
3,4-dibenzoylphthalic acid
CID 22269446

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid (CID 21453648) is 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid is Cc1[nH]cc(C(=O)O)c(=O)c1C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FQOUMUAOUQYLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8-11(12(16)9-5-3-2-4-6-9)13(17)10(7-15-8)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid?
5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 21453648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).