1-methylpyridin-4-imine

C6H8N2 — CID 817189

IUPAC1-methylpyridin-4-imine
SMILES[H]N=c1ccn(C)cc1
InChIInChI=1S/C6H8N2/c1-8-4-2-6(7)3-5-8/h2-5,7H,1H3
InChIKeyJWTVWQUUKNZIHH-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.50
Rot. Bonds

About 1-methylpyridin-4-imine

1-methylpyridin-4-imine (PubChem CID 817189) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-methylpyridin-4-imine.

Molecular Properties

Compound Name1-methylpyridin-4-imine
PubChem CID817189
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-methylpyridin-4-imine
SMILES[H]N=c1ccn(C)cc1
InChIInChI=1S/C6H8N2/c1-8-4-2-6(7)3-5-8/h2-5,7H,1H3
InChIKeyJWTVWQUUKNZIHH-UHFFFAOYSA-N
XLogP0.50
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylpyridin-4-imine 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 1-methylpyridin-4-imine?
The IUPAC name of 1-methylpyridin-4-imine (CID 817189) is 1-methylpyridin-4-imine.
What is the SMILES notation for 1-methylpyridin-4-imine?
The canonical SMILES for 1-methylpyridin-4-imine is [H]N=c1ccn(C)cc1.
What is the InChIKey of 1-methylpyridin-4-imine?
The InChIKey is JWTVWQUUKNZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-8-4-2-6(7)3-5-8/h2-5,7H,1H3.
What are the key properties of 1-methylpyridin-4-imine?
1-methylpyridin-4-imine has a molecular weight of 108.14 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridin-4-imine is sourced from PubChem (CID 817189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).