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

C14H8BrClF2N2O — CID 107100284

IUPAC2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESFc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1F
InChIInChI=1S/C14H8BrClF2N2O/c15-8-5-9(17)13(18)11(6-8)21-14-10(7-16)20-4-2-1-3-12(20)19-14/h1-6H,7H2
InChIKeyQQKIHGNLPUJURM-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.91
Rot. Bonds3

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

2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 107100284) has the molecular formula C14H8BrClF2N2O and a molecular weight of 373.58 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID107100284
Molecular FormulaC14H8BrClF2N2O
Molecular Weight373.58 g/mol
Exact Mass371.95
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESFc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1F
InChIInChI=1S/C14H8BrClF2N2O/c15-8-5-9(17)13(18)11(6-8)21-14-10(7-16)20-4-2-1-3-12(20)19-14/h1-6H,7H2
InChIKeyQQKIHGNLPUJURM-UHFFFAOYSA-N
XLogP4.91
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 114674035
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
2-(4-bromo-2-methylphenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 63566085
[2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107285108
3-(bromomethyl)-2-(5-bromo-2-methylphenoxy)imidazo[1,2-a]pyridine
CID 107284968
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
[2-(3-bromo-5-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 81332235
1-[2-(2-bromo-4-chlorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 43478720
[2-(2-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478529
1-[2-(2,5-difluorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63269750
2-[2-(2-fluoro-5-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 64855924
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine (CID 107100284) is 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is Fc1cc(Br)cc(Oc2nc3ccccn3c2CCl)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is QQKIHGNLPUJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2N2O/c15-8-5-9(17)13(18)11(6-8)21-14-10(7-16)20-4-2-1-3-12(20)19-14/h1-6H,7H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine?
2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 373.58 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107100284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).