2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile

C9H10N2O — CID 10583113

IUPAC2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyXQEKXIYVPKTHAB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.37
Rot. Bonds1

About 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile

2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 10583113) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID10583113
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyXQEKXIYVPKTHAB-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile (CID 10583113) is 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is XQEKXIYVPKTHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10583113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).