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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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).