2-bromo-3-(4-chlorophenyl)pyridine

C11H7BrClN — CID 71664822

IUPAC2-bromo-3-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cccnc2Br)cc1
InChIInChI=1S/C11H7BrClN/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H
InChIKeyZLRFQZKVUGOCCT-UHFFFAOYSA-N
MW268.54 g/mol
LogP4.16
Rot. Bonds1

About 2-bromo-3-(4-chlorophenyl)pyridine

2-bromo-3-(4-chlorophenyl)pyridine (PubChem CID 71664822) has the molecular formula C11H7BrClN and a molecular weight of 268.54 g/mol. Its IUPAC name is 2-bromo-3-(4-chlorophenyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-(4-chlorophenyl)pyridine
PubChem CID71664822
Molecular FormulaC11H7BrClN
Molecular Weight268.54 g/mol
Exact Mass266.95
IUPAC Name2-bromo-3-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cccnc2Br)cc1
InChIInChI=1S/C11H7BrClN/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H
InChIKeyZLRFQZKVUGOCCT-UHFFFAOYSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-chlorophenyl)pyridine?
The IUPAC name of 2-bromo-3-(4-chlorophenyl)pyridine (CID 71664822) is 2-bromo-3-(4-chlorophenyl)pyridine.
What is the SMILES notation for 2-bromo-3-(4-chlorophenyl)pyridine?
The canonical SMILES for 2-bromo-3-(4-chlorophenyl)pyridine is Clc1ccc(-c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-3-(4-chlorophenyl)pyridine?
The InChIKey is ZLRFQZKVUGOCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN/c12-11-10(2-1-7-14-11)8-3-5-9(13)6-4-8/h1-7H.
What are the key properties of 2-bromo-3-(4-chlorophenyl)pyridine?
2-bromo-3-(4-chlorophenyl)pyridine has a molecular weight of 268.54 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-chlorophenyl)pyridine is sourced from PubChem (CID 71664822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).