5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C9H10N2O — CID 10241109

IUPAC5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C9H10N2O/c1-3-7-4-8(5-10)9(12)11-6(7)2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyBVCTUGXGFQOQGO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.12
Rot. Bonds1

About 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10241109) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10241109
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C9H10N2O/c1-3-7-4-8(5-10)9(12)11-6(7)2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyBVCTUGXGFQOQGO-UHFFFAOYSA-N
XLogP1.12
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 10241109) is 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BVCTUGXGFQOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-7-4-8(5-10)9(12)11-6(7)2/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10241109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).