2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine

C14H9BrClFN2O — CID 81331656

IUPAC2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESFc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1
InChIInChI=1S/C14H9BrClFN2O/c15-9-5-10(17)7-11(6-9)20-14-12(8-16)19-4-2-1-3-13(19)18-14/h1-7H,8H2
InChIKeyOHJNIICCANUORQ-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.77
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine

2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 81331656) has the molecular formula C14H9BrClFN2O and a molecular weight of 355.59 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID81331656
Molecular FormulaC14H9BrClFN2O
Molecular Weight355.59 g/mol
Exact Mass353.96
IUPAC Name2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESFc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1
InChIInChI=1S/C14H9BrClFN2O/c15-9-5-10(17)7-11(6-9)20-14-12(8-16)19-4-2-1-3-13(19)18-14/h1-7H,8H2
InChIKeyOHJNIICCANUORQ-UHFFFAOYSA-N
XLogP4.77
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (CID 81331656) is 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is Fc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is OHJNIICCANUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O/c15-9-5-10(17)7-11(6-9)20-14-12(8-16)19-4-2-1-3-13(19)18-14/h1-7H,8H2.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 355.59 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 81331656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).