[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol

C17H12BrF5N2O2 — CID 118235428

IUPAC[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
SMILESCc1nc2cc(C(F)(F)F)c(Br)cn2c1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C17H12BrF5N2O2/c1-8-14(15(26)9-4-2-3-5-12(9)27-16(19)20)25-7-11(18)10(17(21,22)23)6-13(25)24-8/h2-7,15-16,26H,1H3
InChIKeySDVWGFXXGJSDEQ-UHFFFAOYSA-N
MW451.19 g/mol
LogP5.11
Rot. Bonds4

About [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol

[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol (PubChem CID 118235428) has the molecular formula C17H12BrF5N2O2 and a molecular weight of 451.19 g/mol. Its IUPAC name is [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
PubChem CID118235428
Molecular FormulaC17H12BrF5N2O2
Molecular Weight451.19 g/mol
Exact Mass450.00
IUPAC Name[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol
SMILESCc1nc2cc(C(F)(F)F)c(Br)cn2c1C(O)c1ccccc1OC(F)F
InChIInChI=1S/C17H12BrF5N2O2/c1-8-14(15(26)9-4-2-3-5-12(9)27-16(19)20)25-7-11(18)10(17(21,22)23)6-13(25)24-8/h2-7,15-16,26H,1H3
InChIKeySDVWGFXXGJSDEQ-UHFFFAOYSA-N
XLogP5.11
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.19
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 118235690
1-[5-[3-[(R)-[2-(difluoromethoxy)phenyl]-hydroxymethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-(trifluoromethyl)azetidin-3-ol
CID 145208902
(6-bromo-7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-[2-(difluoromethoxy)phenyl]methanone
CID 118235631
(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 65278800
ethyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]-hydroxymethyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
CID 118235760
(R)-(6-bromo-2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(2-propan-2-yloxyphenyl)methanol;(R)-[6-[2-(3-tert-butyl-3-methylazetidin-1-yl)pyrimidin-5-yl]-2,7-dimethylimidazo[1,2-a]pyridin-3-yl]-(2-propan-2-yloxyphenyl)methanol;2-(3-tert-butyl-3-methylazetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrimidine
CID 158741310
[2-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methanol
CID 114684708
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
CID 61081501
[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
CID 118235677
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol (CID 118235428) is [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol is Cc1nc2cc(C(F)(F)F)c(Br)cn2c1C(O)c1ccccc1OC(F)F.
What is the InChIKey of [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol?
The InChIKey is SDVWGFXXGJSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF5N2O2/c1-8-14(15(26)9-4-2-3-5-12(9)27-16(19)20)25-7-11(18)10(17(21,22)23)6-13(25)24-8/h2-7,15-16,26H,1H3.
What are the key properties of [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol?
[6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol has a molecular weight of 451.19 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[2-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 118235428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).