[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone

C17H12BrF3N2O2 — CID 126687543

IUPAC[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H12BrF3N2O2/c1-2-12-14(23-6-4-3-5-13(23)22-12)15(24)9-7-10(17(19,20)21)16(25)11(18)8-9/h3-8,25H,2H2,1H3
InChIKeyAUBZDGKYYOWMBD-UHFFFAOYSA-N
MW413.19 g/mol
LogP4.61
Rot. Bonds3

About [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone

[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126687543) has the molecular formula C17H12BrF3N2O2 and a molecular weight of 413.19 g/mol. Its IUPAC name is [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126687543
Molecular FormulaC17H12BrF3N2O2
Molecular Weight413.19 g/mol
Exact Mass412.00
IUPAC Name[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H12BrF3N2O2/c1-2-12-14(23-6-4-3-5-13(23)22-12)15(24)9-7-10(17(19,20)21)16(25)11(18)8-9/h3-8,25H,2H2,1H3
InChIKeyAUBZDGKYYOWMBD-UHFFFAOYSA-N
XLogP4.61
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

Lingdolinurad
CID 126687506
5-(6-Bromoimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide
CID 134132677
Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
CID 118712277
2-(4-Bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 135032510
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
(6-Bromoimidazo[1,2-a]pyridin-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10140986
(6-Bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10163190
4-(6-Bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid
CID 67003243
2,6-Difluoro-4-hydroxy-3-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 91041819

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone (CID 126687543) is [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone is CCc1nc2ccccn2c1C(=O)c1cc(Br)c(O)c(C(F)(F)F)c1.
What is the InChIKey of [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is AUBZDGKYYOWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2O2/c1-2-12-14(23-6-4-3-5-13(23)22-12)15(24)9-7-10(17(19,20)21)16(25)11(18)8-9/h3-8,25H,2H2,1H3.
What are the key properties of [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone?
[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 413.19 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126687543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).