1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid

C14H10N2O3 — CID 70608832

IUPAC1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
SMILESN#Cc1cc(=O)c(C(=O)O)cn1Cc1ccccc1
InChIInChI=1S/C14H10N2O3/c15-7-11-6-13(17)12(14(18)19)9-16(11)8-10-4-2-1-3-5-10/h1-6,9H,8H2,(H,18,19)
InChIKeyVIGVSSGCUVAFKK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.47
Rot. Bonds3

About 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid

1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid (PubChem CID 70608832) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
PubChem CID70608832
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
SMILESN#Cc1cc(=O)c(C(=O)O)cn1Cc1ccccc1
InChIInChI=1S/C14H10N2O3/c15-7-11-6-13(17)12(14(18)19)9-16(11)8-10-4-2-1-3-5-10/h1-6,9H,8H2,(H,18,19)
InChIKeyVIGVSSGCUVAFKK-UHFFFAOYSA-N
XLogP1.47
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzyl-5-cyanopyrrol-3-yl)benzoic acid
CID 45376631
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CID 79014884
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxylic acid
CID 114038878
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
(1-benzyl-3-carboxyindol-6-yl)-ethyl-oxoazanium
CID 123958780
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
4-benzyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 123608382
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
1-benzyl-5-bromo-2-oxopyridine-3-carbonitrile
CID 130561396
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid (CID 70608832) is 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid is N#Cc1cc(=O)c(C(=O)O)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid?
The InChIKey is VIGVSSGCUVAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-7-11-6-13(17)12(14(18)19)9-16(11)8-10-4-2-1-3-5-10/h1-6,9H,8H2,(H,18,19).
What are the key properties of 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid?
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 70608832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).