3-cyano-2-oxo-1H-pyridine-4-carboxylic acid

C7H4N2O3 — CID 82415014

IUPAC3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
SMILESN#Cc1c(C(=O)O)cc[nH]c1=O
InChIInChI=1S/C7H4N2O3/c8-3-5-4(7(11)12)1-2-9-6(5)10/h1-2H,(H,9,10)(H,11,12)
InChIKeyHHPYRVORPCLGQG-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.06
Rot. Bonds1

About 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid

3-cyano-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82415014) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82415014
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
SMILESN#Cc1c(C(=O)O)cc[nH]c1=O
InChIInChI=1S/C7H4N2O3/c8-3-5-4(7(11)12)1-2-9-6(5)10/h1-2H,(H,9,10)(H,11,12)
InChIKeyHHPYRVORPCLGQG-UHFFFAOYSA-N
XLogP-0.06
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 54062320
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82400523
2-oxo-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092135
2-cyano-3-propan-2-ylbenzoic acid
CID 123659898
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
3,4-dibromo-2-cyanobenzoic acid
CID 119012767
4-(benzylamino)-2-oxo-1H-pyridine-3-carbonitrile
CID 13150306
2-oxo-4-(2,3,4-trifluorophenyl)-1H-pyridine-3-carbonitrile
CID 82087328
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
2-cyano-4-ethyl-3-hydroxybenzoic acid
CID 131073078

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid (CID 82415014) is 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid is N#Cc1c(C(=O)O)cc[nH]c1=O.
What is the InChIKey of 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is HHPYRVORPCLGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c8-3-5-4(7(11)12)1-2-9-6(5)10/h1-2H,(H,9,10)(H,11,12).
What are the key properties of 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid?
3-cyano-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).