2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile

C8H8N2O — CID 137383975

IUPAC2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C)cc1C#N
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)6(2)10-8(5)11/h3H,1-2H3,(H,10,11)
InChIKeyMAEPGXLHLDVTRS-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.86
Rot. Bonds

About 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile

2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 137383975) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID137383975
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C)cc1C#N
InChIInChI=1S/C8H8N2O/c1-5-3-7(4-9)6(2)10-8(5)11/h3H,1-2H3,(H,10,11)
InChIKeyMAEPGXLHLDVTRS-UHFFFAOYSA-N
XLogP0.86
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile (CID 137383975) is 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C)cc1C#N.
What is the InChIKey of 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MAEPGXLHLDVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-7(4-9)6(2)10-8(5)11/h3H,1-2H3,(H,10,11).
What are the key properties of 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 137383975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).