6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine

C8H6BrClN2 — CID 11622894

IUPAC6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESClCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2
InChIKeyYEXHHHNCGSIJLI-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.84
Rot. Bonds1

About 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine

6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 11622894) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID11622894
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESClCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2
InChIKeyYEXHHHNCGSIJLI-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine (CID 11622894) is 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine is ClCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is YEXHHHNCGSIJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2.
What are the key properties of 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 245.51 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 11622894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).