2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine

C13H18ClN3 — CID 174331975

IUPAC2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine
SMILESC=Cc1ccc(N2CCN(CCC)C2)c(Cl)n1
InChIInChI=1S/C13H18ClN3/c1-3-7-16-8-9-17(10-16)12-6-5-11(4-2)15-13(12)14/h4-6H,2-3,7-10H2,1H3
InChIKeyATCCAQIJBASSPM-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.87
Rot. Bonds4

About 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine

2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine (PubChem CID 174331975) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine
PubChem CID174331975
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine
SMILESC=Cc1ccc(N2CCN(CCC)C2)c(Cl)n1
InChIInChI=1S/C13H18ClN3/c1-3-7-16-8-9-17(10-16)12-6-5-11(4-2)15-13(12)14/h4-6H,2-3,7-10H2,1H3
InChIKeyATCCAQIJBASSPM-UHFFFAOYSA-N
XLogP2.87
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-ethenyl-3-(3-propylimidazolidin-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 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine?
The IUPAC name of 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine (CID 174331975) is 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine is C=Cc1ccc(N2CCN(CCC)C2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine?
The InChIKey is ATCCAQIJBASSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-3-7-16-8-9-17(10-16)12-6-5-11(4-2)15-13(12)14/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine?
2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine has a molecular weight of 251.76 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine is sourced from PubChem (CID 174331975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).