2-methyl-3H-pyridin-6-imine

C6H8N2 — CID 71415991

IUPAC2-methyl-3H-pyridin-6-imine
SMILES[H]/N=C1\C=CCC(C)=N1
InChIInChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2,4,7H,3H2,1H3/b7-6+
InChIKeyMJFBXPANIPZBLQ-VOTSOKGWSA-N
MW108.14 g/mol
LogP1.38
Rot. Bonds

About 2-methyl-3H-pyridin-6-imine

2-methyl-3H-pyridin-6-imine (PubChem CID 71415991) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-methyl-3H-pyridin-6-imine.

Molecular Properties

Compound Name2-methyl-3H-pyridin-6-imine
PubChem CID71415991
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-methyl-3H-pyridin-6-imine
SMILES[H]/N=C1\C=CCC(C)=N1
InChIInChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2,4,7H,3H2,1H3/b7-6+
InChIKeyMJFBXPANIPZBLQ-VOTSOKGWSA-N
XLogP1.38
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methyl-3H-pyridin-6-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 2-methyl-3H-pyridin-6-imine?
The IUPAC name of 2-methyl-3H-pyridin-6-imine (CID 71415991) is 2-methyl-3H-pyridin-6-imine.
What is the SMILES notation for 2-methyl-3H-pyridin-6-imine?
The canonical SMILES for 2-methyl-3H-pyridin-6-imine is [H]/N=C1\C=CCC(C)=N1.
What is the InChIKey of 2-methyl-3H-pyridin-6-imine?
The InChIKey is MJFBXPANIPZBLQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2,4,7H,3H2,1H3/b7-6+.
What are the key properties of 2-methyl-3H-pyridin-6-imine?
2-methyl-3H-pyridin-6-imine has a molecular weight of 108.14 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-pyridin-6-imine is sourced from PubChem (CID 71415991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).