2-(3-chlorophenyl)-5-pent-1-enylpyridine

C16H16ClN — CID 154448702

IUPAC2-(3-chlorophenyl)-5-pent-1-enylpyridine
SMILESCCCC=Cc1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C16H16ClN/c1-2-3-4-6-13-9-10-16(18-12-13)14-7-5-8-15(17)11-14/h4-12H,2-3H2,1H3
InChIKeyXPKWMXGDJCWURJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP5.22
Rot. Bonds4

About 2-(3-chlorophenyl)-5-pent-1-enylpyridine

2-(3-chlorophenyl)-5-pent-1-enylpyridine (PubChem CID 154448702) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-pent-1-enylpyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-pent-1-enylpyridine
PubChem CID154448702
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-(3-chlorophenyl)-5-pent-1-enylpyridine
SMILESCCCC=Cc1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C16H16ClN/c1-2-3-4-6-13-9-10-16(18-12-13)14-7-5-8-15(17)11-14/h4-12H,2-3H2,1H3
InChIKeyXPKWMXGDJCWURJ-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.76
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-5-pent-1-enylpyridine 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-(3-chlorophenyl)-5-pent-1-enylpyridine?
The IUPAC name of 2-(3-chlorophenyl)-5-pent-1-enylpyridine (CID 154448702) is 2-(3-chlorophenyl)-5-pent-1-enylpyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-pent-1-enylpyridine?
The canonical SMILES for 2-(3-chlorophenyl)-5-pent-1-enylpyridine is CCCC=Cc1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-pent-1-enylpyridine?
The InChIKey is XPKWMXGDJCWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-2-3-4-6-13-9-10-16(18-12-13)14-7-5-8-15(17)11-14/h4-12H,2-3H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-pent-1-enylpyridine?
2-(3-chlorophenyl)-5-pent-1-enylpyridine has a molecular weight of 257.76 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-pent-1-enylpyridine is sourced from PubChem (CID 154448702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).