3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine

C12H7BrClN3 — CID 70700368

IUPAC3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3cccc(Br)n3)n2c1
InChIInChI=1S/C12H7BrClN3/c13-11-3-1-2-9(16-11)10-6-15-12-5-4-8(14)7-17(10)12/h1-7H
InChIKeyHERAKKWSDPDIEN-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.81
Rot. Bonds1

About 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine

3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine (PubChem CID 70700368) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
PubChem CID70700368
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(-c3cccc(Br)n3)n2c1
InChIInChI=1S/C12H7BrClN3/c13-11-3-1-2-9(16-11)10-6-15-12-5-4-8(14)7-17(10)12/h1-7H
InChIKeyHERAKKWSDPDIEN-UHFFFAOYSA-N
XLogP3.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine (CID 70700368) is 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine is Clc1ccc2ncc(-c3cccc(Br)n3)n2c1.
What is the InChIKey of 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine?
The InChIKey is HERAKKWSDPDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-11-3-1-2-9(16-11)10-6-15-12-5-4-8(14)7-17(10)12/h1-7H.
What are the key properties of 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine?
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine has a molecular weight of 308.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 70700368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).