6-methylpyridine-3-carbonitrile;propane

C10H14N2 — CID 142590874

IUPAC6-methylpyridine-3-carbonitrile;propane
SMILESCCC.Cc1ccc(C#N)cn1
InChIInChI=1S/C7H6N2.C3H8/c1-6-2-3-7(4-8)5-9-6;1-3-2/h2-3,5H,1H3;3H2,1-2H3
InChIKeyOGCCYHYJNWGTOW-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.68
Rot. Bonds

About 6-methylpyridine-3-carbonitrile;propane

6-methylpyridine-3-carbonitrile;propane (PubChem CID 142590874) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-methylpyridine-3-carbonitrile;propane.

Molecular Properties

Compound Name6-methylpyridine-3-carbonitrile;propane
PubChem CID142590874
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-methylpyridine-3-carbonitrile;propane
SMILESCCC.Cc1ccc(C#N)cn1
InChIInChI=1S/C7H6N2.C3H8/c1-6-2-3-7(4-8)5-9-6;1-3-2/h2-3,5H,1H3;3H2,1-2H3
InChIKeyOGCCYHYJNWGTOW-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methylpyridine-3-carbonitrile;propane 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 6-methylpyridine-3-carbonitrile;propane?
The IUPAC name of 6-methylpyridine-3-carbonitrile;propane (CID 142590874) is 6-methylpyridine-3-carbonitrile;propane.
What is the SMILES notation for 6-methylpyridine-3-carbonitrile;propane?
The canonical SMILES for 6-methylpyridine-3-carbonitrile;propane is CCC.Cc1ccc(C#N)cn1.
What is the InChIKey of 6-methylpyridine-3-carbonitrile;propane?
The InChIKey is OGCCYHYJNWGTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H8/c1-6-2-3-7(4-8)5-9-6;1-3-2/h2-3,5H,1H3;3H2,1-2H3.
What are the key properties of 6-methylpyridine-3-carbonitrile;propane?
6-methylpyridine-3-carbonitrile;propane has a molecular weight of 162.24 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-3-carbonitrile;propane is sourced from PubChem (CID 142590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).