2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile

C10H10N2O2 — CID 127008229

IUPAC2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile
SMILESCC(=O)Cn1c(C)c(C#N)ccc1=O
InChIInChI=1S/C10H10N2O2/c1-7(13)6-12-8(2)9(5-11)3-4-10(12)14/h3-4H,6H2,1-2H3
InChIKeyGVARCCGLXCDWBV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.62
Rot. Bonds2

About 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile

2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile (PubChem CID 127008229) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile
PubChem CID127008229
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile
SMILESCC(=O)Cn1c(C)c(C#N)ccc1=O
InChIInChI=1S/C10H10N2O2/c1-7(13)6-12-8(2)9(5-11)3-4-10(12)14/h3-4H,6H2,1-2H3
InChIKeyGVARCCGLXCDWBV-UHFFFAOYSA-N
XLogP0.62
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile (CID 127008229) is 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile is CC(=O)Cn1c(C)c(C#N)ccc1=O.
What is the InChIKey of 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile?
The InChIKey is GVARCCGLXCDWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)6-12-8(2)9(5-11)3-4-10(12)14/h3-4H,6H2,1-2H3.
What are the key properties of 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile?
2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile has a molecular weight of 190.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-1-(2-oxopropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 127008229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).