2,6-dichloro-4-(1-phenylethenyl)pyridine

C13H9Cl2N — CID 146175460

IUPAC2,6-dichloro-4-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H9Cl2N/c1-9(10-5-3-2-4-6-10)11-7-12(14)16-13(15)8-11/h2-8H,1H2
InChIKeyZCHCSWFWMOPSAJ-UHFFFAOYSA-N
MW250.13 g/mol
LogP4.45
Rot. Bonds2

About 2,6-dichloro-4-(1-phenylethenyl)pyridine

2,6-dichloro-4-(1-phenylethenyl)pyridine (PubChem CID 146175460) has the molecular formula C13H9Cl2N and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,6-dichloro-4-(1-phenylethenyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1-phenylethenyl)pyridine
PubChem CID146175460
Molecular FormulaC13H9Cl2N
Molecular Weight250.13 g/mol
Exact Mass249.01
IUPAC Name2,6-dichloro-4-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H9Cl2N/c1-9(10-5-3-2-4-6-10)11-7-12(14)16-13(15)8-11/h2-8H,1H2
InChIKeyZCHCSWFWMOPSAJ-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(1-phenylethenyl)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 2,6-dichloro-4-(1-phenylethenyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1-phenylethenyl)pyridine (CID 146175460) is 2,6-dichloro-4-(1-phenylethenyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1-phenylethenyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1-phenylethenyl)pyridine is C=C(c1ccccc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(1-phenylethenyl)pyridine?
The InChIKey is ZCHCSWFWMOPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N/c1-9(10-5-3-2-4-6-10)11-7-12(14)16-13(15)8-11/h2-8H,1H2.
What are the key properties of 2,6-dichloro-4-(1-phenylethenyl)pyridine?
2,6-dichloro-4-(1-phenylethenyl)pyridine has a molecular weight of 250.13 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1-phenylethenyl)pyridine is sourced from PubChem (CID 146175460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).