(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone

C16H10BrF3N2O2 — CID 118235631

IUPAC(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone
SMILESCc1nc2cc(F)c(Br)cn2c1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H10BrF3N2O2/c1-8-14(22-7-10(17)11(18)6-13(22)21-8)15(23)9-4-2-3-5-12(9)24-16(19)20/h2-7,16H,1H3
InChIKeyKTNBNCQDKCNADK-UHFFFAOYSA-N
MW399.17 g/mol
LogP4.38
Rot. Bonds4

About (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone

(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 118235631) has the molecular formula C16H10BrF3N2O2 and a molecular weight of 399.17 g/mol. Its IUPAC name is (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone
PubChem CID118235631
Molecular FormulaC16H10BrF3N2O2
Molecular Weight399.17 g/mol
Exact Mass397.99
IUPAC Name(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone
SMILESCc1nc2cc(F)c(Br)cn2c1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H10BrF3N2O2/c1-8-14(22-7-10(17)11(18)6-13(22)21-8)15(23)9-4-2-3-5-12(9)24-16(19)20/h2-7,16H,1H3
InChIKeyKTNBNCQDKCNADK-UHFFFAOYSA-N
XLogP4.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
CID 118235428
6-bromo-2-(chloromethyl)-3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoroimidazo[1,2-a]pyridine
CID 118235830
ethyl 11-bromo-3-[2-(difluoromethoxy)-5-fluorophenyl]-10-fluoro-5-oxo-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-4-carboxylate
CID 118138942
3-(6-bromo-2-ethoxycarbonyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[2-(difluoromethoxy)-6-fluorophenyl]propanoic acid
CID 118138866
[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 79736940
tert-butyl 4-[5-[3-[2-(difluoromethoxy)benzoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 140680564
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860

Frequently Asked Questions

What is the IUPAC name of (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone (CID 118235631) is (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone is Cc1nc2cc(F)c(Br)cn2c1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is KTNBNCQDKCNADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O2/c1-8-14(22-7-10(17)11(18)6-13(22)21-8)15(23)9-4-2-3-5-12(9)24-16(19)20/h2-7,16H,1H3.
What are the key properties of (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone?
(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 399.17 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 118235631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).