2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine

C14H12ClN — CID 14947053

IUPAC2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine
SMILESC/C(=C\c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN/c1-11(10-12-6-4-5-9-16-12)13-7-2-3-8-14(13)15/h2-10H,1H3/b11-10+
InChIKeyDKAFDPGQGBJZHR-ZHACJKMWSA-N
MW229.71 g/mol
LogP4.30
Rot. Bonds2

About 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine

2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine (PubChem CID 14947053) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine
PubChem CID14947053
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine
SMILESC/C(=C\c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN/c1-11(10-12-6-4-5-9-16-12)13-7-2-3-8-14(13)15/h2-10H,1H3/b11-10+
InChIKeyDKAFDPGQGBJZHR-ZHACJKMWSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]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-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine (CID 14947053) is 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine is C/C(=C\c1ccccn1)c1ccccc1Cl.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine?
The InChIKey is DKAFDPGQGBJZHR-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11(10-12-6-4-5-9-16-12)13-7-2-3-8-14(13)15/h2-10H,1H3/b11-10+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine?
2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine has a molecular weight of 229.71 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine is sourced from PubChem (CID 14947053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).