3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine

C14H9BrClFN2O — CID 107088563

IUPAC3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
SMILESFc1ccc(Oc2nc3ccccn3c2CBr)cc1Cl
InChIInChI=1S/C14H9BrClFN2O/c15-8-12-14(18-13-3-1-2-6-19(12)13)20-9-4-5-11(17)10(16)7-9/h1-7H,8H2
InChIKeyNZZXWPJHAYKREN-UHFFFAOYSA-N
MW355.59 g/mol
LogP4.81
Rot. Bonds3

About 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine (PubChem CID 107088563) has the molecular formula C14H9BrClFN2O and a molecular weight of 355.59 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
PubChem CID107088563
Molecular FormulaC14H9BrClFN2O
Molecular Weight355.59 g/mol
Exact Mass353.96
IUPAC Name3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine
SMILESFc1ccc(Oc2nc3ccccn3c2CBr)cc1Cl
InChIInChI=1S/C14H9BrClFN2O/c15-8-12-14(18-13-3-1-2-6-19(12)13)20-9-4-5-11(17)10(16)7-9/h1-7H,8H2
InChIKeyNZZXWPJHAYKREN-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2-(4-chloro-3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087710
2-(1,3-benzodioxol-5-yloxy)-3-(bromomethyl)imidazo[1,2-a]pyridine
CID 107086400
3-(bromomethyl)-2-(3,5-dimethylphenoxy)imidazo[1,2-a]pyridine
CID 107087014
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942
2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
[2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478483
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
2-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]oxy-6-fluorobenzonitrile
CID 107087798
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
[2-(3,4-dimethylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478684
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 107100284
[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 81332235

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine (CID 107088563) is 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine is Fc1ccc(Oc2nc3ccccn3c2CBr)cc1Cl.
What is the InChIKey of 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine?
The InChIKey is NZZXWPJHAYKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O/c15-8-12-14(18-13-3-1-2-6-19(12)13)20-9-4-5-11(17)10(16)7-9/h1-7H,8H2.
What are the key properties of 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine has a molecular weight of 355.59 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107088563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).