6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine

C16H11BrClF3N2O — CID 118235830

IUPAC6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
SMILESFc1cc2nc(CCl)c(Cc3ccccc3OC(F)F)n2cc1Br
InChIInChI=1S/C16H11BrClF3N2O/c17-10-8-23-13(12(7-18)22-15(23)6-11(10)19)5-9-3-1-2-4-14(9)24-16(20)21/h1-4,6,8,16H,5,7H2
InChIKeyLRMWAOUKBGLMRY-UHFFFAOYSA-N
MW419.63 g/mol
LogP5.17
Rot. Bonds5

About 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine

6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine (PubChem CID 118235830) has the molecular formula C16H11BrClF3N2O and a molecular weight of 419.63 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
PubChem CID118235830
Molecular FormulaC16H11BrClF3N2O
Molecular Weight419.63 g/mol
Exact Mass417.97
IUPAC Name6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
SMILESFc1cc2nc(CCl)c(Cc3ccccc3OC(F)F)n2cc1Br
InChIInChI=1S/C16H11BrClF3N2O/c17-10-8-23-13(12(7-18)22-15(23)6-11(10)19)5-9-3-1-2-4-14(9)24-16(20)21/h1-4,6,8,16H,5,7H2
InChIKeyLRMWAOUKBGLMRY-UHFFFAOYSA-N
XLogP5.17
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.63
LogP ≤ 55.17
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-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
CID 140680531
12-bromo-3-[2-(difluoromethoxy)phenyl]-11-fluoro-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152390
[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-6-(2-morpholin-4-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 118235493
(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone
CID 118235631
3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-(methoxymethyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]imidazo[1,2-a]pyridine
CID 118235793
2-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]propan-2-ol
CID 118235831
11-bromo-3-[2-(difluoromethoxy)phenyl]-10-fluoro-5-oxo-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-4-carboxylic acid
CID 150899694
6-(5-bromopyrimidin-2-yl)-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridine
CID 118235828
6-bromo-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-b]pyridazine
CID 91809190
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
CID 118235823
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
3-(6-bromo-2-ethoxycarbonyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[2-(difluoromethoxy)-6-fluorophenyl]propanoic acid
CID 118138866

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine (CID 118235830) is 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine is Fc1cc2nc(CCl)c(Cc3ccccc3OC(F)F)n2cc1Br.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine?
The InChIKey is LRMWAOUKBGLMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF3N2O/c17-10-8-23-13(12(7-18)22-15(23)6-11(10)19)5-9-3-1-2-4-14(9)24-16(20)21/h1-4,6,8,16H,5,7H2.
What are the key properties of 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine?
6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine has a molecular weight of 419.63 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 118235830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).