3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine

C12H14ClN3 — CID 81234307

IUPAC3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1ccncc1CCl
InChIInChI=1S/C12H14ClN3/c1-2-3-12-15-6-7-16(12)11-4-5-14-9-10(11)8-13/h4-7,9H,2-3,8H2,1H3
InChIKeySPGUIMQUYKLGHY-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.96
Rot. Bonds4

About 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine

3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine (PubChem CID 81234307) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine
PubChem CID81234307
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1ccncc1CCl
InChIInChI=1S/C12H14ClN3/c1-2-3-12-15-6-7-16(12)11-4-5-14-9-10(11)8-13/h4-7,9H,2-3,8H2,1H3
InChIKeySPGUIMQUYKLGHY-UHFFFAOYSA-N
XLogP2.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-4-(2-propylimidazol-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-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine (CID 81234307) is 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine is CCCc1nccn1-c1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine?
The InChIKey is SPGUIMQUYKLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-3-12-15-6-7-16(12)11-4-5-14-9-10(11)8-13/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine?
3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine is sourced from PubChem (CID 81234307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).