5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid

C9H8N2O3 — CID 14490482

IUPAC5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)O
InChIInChI=1S/C9H8N2O3/c1-2-7-6(9(13)14)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyXAACQPZGKRHEOD-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.51
Rot. Bonds2

About 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid

5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 14490482) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID14490482
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)O
InChIInChI=1S/C9H8N2O3/c1-2-7-6(9(13)14)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyXAACQPZGKRHEOD-UHFFFAOYSA-N
XLogP0.51
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
5-(2-chloroacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 88708237
5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 15098873
6-ethyl-2-oxo-5-(3-oxobutanoyl)-1H-pyridine-3-carbonitrile
CID 70492361
[1-(5-cyano-2-ethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropan-2-yl] thiocyanate
CID 88708875
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
6-ethyl-5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135827459
5-cyano-6-ethylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 3505099
[2-(5-cyano-6-oxo-2-propyl-1H-pyridin-3-yl)-2-oxoethyl] thiocyanate
CID 88707803
5-cyano-4-ethyl-2-methylbenzoic acid
CID 130892603
6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
CID 89110306
5-(2-bromo-1-hydroxypropyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 57036268

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 14490482) is 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid is CCc1[nH]c(=O)c(C#N)cc1C(=O)O.
What is the InChIKey of 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is XAACQPZGKRHEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-2-7-6(9(13)14)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid?
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 14490482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).