2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine

C8H6BrClN2 — CID 59589453

IUPAC2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
SMILESClc1c(CBr)nc2ccccn12
InChIInChI=1S/C8H6BrClN2/c9-5-6-8(10)12-4-2-1-3-7(12)11-6/h1-4H,5H2
InChIKeyQSKKKOBKWJGPCQ-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.88
Rot. Bonds1

About 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine

2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine (PubChem CID 59589453) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
PubChem CID59589453
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
SMILESClc1c(CBr)nc2ccccn12
InChIInChI=1S/C8H6BrClN2/c9-5-6-8(10)12-4-2-1-3-7(12)11-6/h1-4H,5H2
InChIKeyQSKKKOBKWJGPCQ-UHFFFAOYSA-N
XLogP2.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine (CID 59589453) is 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine is Clc1c(CBr)nc2ccccn12.
What is the InChIKey of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine?
The InChIKey is QSKKKOBKWJGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c9-5-6-8(10)12-4-2-1-3-7(12)11-6/h1-4H,5H2.
What are the key properties of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine?
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine has a molecular weight of 245.51 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine is sourced from PubChem (CID 59589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).