3-(2-methylimidazol-1-yl)pyridine

C9H9N3 — CID 16654686

IUPAC3-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cccnc1
InChIInChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3
InChIKeyMNHXJOCWNHZKLQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.58
Rot. Bonds1

About 3-(2-methylimidazol-1-yl)pyridine

3-(2-methylimidazol-1-yl)pyridine (PubChem CID 16654686) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)pyridine
PubChem CID16654686
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cccnc1
InChIInChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3
InChIKeyMNHXJOCWNHZKLQ-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylimidazol-1-yl)pyridine 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 3-(2-methylimidazol-1-yl)pyridine?
The IUPAC name of 3-(2-methylimidazol-1-yl)pyridine (CID 16654686) is 3-(2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)pyridine is Cc1nccn1-c1cccnc1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)pyridine?
The InChIKey is MNHXJOCWNHZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-8-11-5-6-12(8)9-3-2-4-10-7-9/h2-7H,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)pyridine?
3-(2-methylimidazol-1-yl)pyridine has a molecular weight of 159.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 16654686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).