1-methyl-2-oxopyridine-4-carbonitrile

C7H6N2O — CID 11170995

IUPAC1-methyl-2-oxopyridine-4-carbonitrile
SMILESCn1ccc(C#N)cc1=O
InChIInChI=1S/C7H6N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,1H3
InChIKeyKTFKAUVXDUNFOB-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.26
Rot. Bonds

About 1-methyl-2-oxopyridine-4-carbonitrile

1-methyl-2-oxopyridine-4-carbonitrile (PubChem CID 11170995) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1-methyl-2-oxopyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxopyridine-4-carbonitrile
PubChem CID11170995
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1-methyl-2-oxopyridine-4-carbonitrile
SMILESCn1ccc(C#N)cc1=O
InChIInChI=1S/C7H6N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,1H3
InChIKeyKTFKAUVXDUNFOB-UHFFFAOYSA-N
XLogP0.26
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-oxopyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxyisonicotinonitrile
CID 2761051
2(1H)-Pyridinone, 1,4-dimethyl-
CID 293079
1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
CID 69851
4-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10606782
1,2-Dihydro-1-methyl-2-oxo-3-pyridinecarbonitrile
CID 303840
1,4-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12342652
5-Fluoro-1-methyl-6-oxopyridine-3-carbonitrile
CID 177333698
1-(2-Fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile
CID 166401201
2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-4-carbonitrile
CID 168030412
1-(2,2-Difluoroethyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile
CID 168030420
3,4-Pyridinedicarbonitrile, 1,2-dihydro-1-methyl-2-oxo-
CID 338161
Penta-2,4-dienamide, 2-cyano-3-methyl-5-dimethylamino-
CID 5374643

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopyridine-4-carbonitrile?
The IUPAC name of 1-methyl-2-oxopyridine-4-carbonitrile (CID 11170995) is 1-methyl-2-oxopyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxopyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-2-oxopyridine-4-carbonitrile is Cn1ccc(C#N)cc1=O.
What is the InChIKey of 1-methyl-2-oxopyridine-4-carbonitrile?
The InChIKey is KTFKAUVXDUNFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,1H3.
What are the key properties of 1-methyl-2-oxopyridine-4-carbonitrile?
1-methyl-2-oxopyridine-4-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxopyridine-4-carbonitrile is sourced from PubChem (CID 11170995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).