4-bromo-2-chloropyridine

C5H3BrClN — CID 3847770

IUPAC4-bromo-2-chloropyridine
SMILESClc1cc(Br)ccn1
InChIInChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyONHMWUXYIFULDO-UHFFFAOYSA-N
MW192.44 g/mol
LogP2.50
Rot. Bonds

About 4-bromo-2-chloropyridine

4-bromo-2-chloropyridine (PubChem CID 3847770) has the molecular formula C5H3BrClN and a molecular weight of 192.44 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine.

Molecular Properties

Compound Name4-bromo-2-chloropyridine
PubChem CID3847770
Molecular FormulaC5H3BrClN
Molecular Weight192.44 g/mol
Exact Mass190.91
IUPAC Name4-bromo-2-chloropyridine
SMILESClc1cc(Br)ccn1
InChIInChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyONHMWUXYIFULDO-UHFFFAOYSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloropyridine 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 4-bromo-2-chloropyridine?
The IUPAC name of 4-bromo-2-chloropyridine (CID 3847770) is 4-bromo-2-chloropyridine.
What is the SMILES notation for 4-bromo-2-chloropyridine?
The canonical SMILES for 4-bromo-2-chloropyridine is Clc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-chloropyridine?
The InChIKey is ONHMWUXYIFULDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H.
What are the key properties of 4-bromo-2-chloropyridine?
4-bromo-2-chloropyridine has a molecular weight of 192.44 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloropyridine is sourced from PubChem (CID 3847770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).