5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine

C8H8BrCl2N — CID 146273653

IUPAC5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine
SMILESCC(Cl)c1cc(Br)cnc1CCl
InChIInChI=1S/C8H8BrCl2N/c1-5(11)7-2-6(9)4-12-8(7)3-10/h2,4-5H,3H2,1H3
InChIKeyMPHUNPSBRDHTKJ-UHFFFAOYSA-N
MW268.97 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine

5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine (PubChem CID 146273653) has the molecular formula C8H8BrCl2N and a molecular weight of 268.97 g/mol. Its IUPAC name is 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine
PubChem CID146273653
Molecular FormulaC8H8BrCl2N
Molecular Weight268.97 g/mol
Exact Mass266.92
IUPAC Name5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine
SMILESCC(Cl)c1cc(Br)cnc1CCl
InChIInChI=1S/C8H8BrCl2N/c1-5(11)7-2-6(9)4-12-8(7)3-10/h2,4-5H,3H2,1H3
InChIKeyMPHUNPSBRDHTKJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.97
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)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 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine?
The IUPAC name of 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine (CID 146273653) is 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine.
What is the SMILES notation for 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine?
The canonical SMILES for 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine is CC(Cl)c1cc(Br)cnc1CCl.
What is the InChIKey of 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine?
The InChIKey is MPHUNPSBRDHTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2N/c1-5(11)7-2-6(9)4-12-8(7)3-10/h2,4-5H,3H2,1H3.
What are the key properties of 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine?
5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine has a molecular weight of 268.97 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine is sourced from PubChem (CID 146273653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).