1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol

C17H14Br2N4O2 — CID 164947783

IUPAC1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
SMILESCC(=O)c1cnc2c(Br)cccn12.OCc1cnc2c(Br)cccn12
InChIInChI=1S/C9H7BrN2O.C8H7BrN2O/c1-6(13)8-5-11-9-7(10)3-2-4-12(8)9;9-7-2-1-3-11-6(5-12)4-10-8(7)11/h2-5H,1H3;1-4,12H,5H2
InChIKeyACSIRTLMEZNHIZ-UHFFFAOYSA-N
MW466.13 g/mol
LogP3.89
Rot. Bonds2

About 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol

1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol (PubChem CID 164947783) has the molecular formula C17H14Br2N4O2 and a molecular weight of 466.13 g/mol. Its IUPAC name is 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol.

Molecular Properties

Compound Name1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
PubChem CID164947783
Molecular FormulaC17H14Br2N4O2
Molecular Weight466.13 g/mol
Exact Mass463.95
IUPAC Name1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
SMILESCC(=O)c1cnc2c(Br)cccn12.OCc1cnc2c(Br)cccn12
InChIInChI=1S/C9H7BrN2O.C8H7BrN2O/c1-6(13)8-5-11-9-7(10)3-2-4-12(8)9;9-7-2-1-3-11-6(5-12)4-10-8(7)11/h2-5H,1H3;1-4,12H,5H2
InChIKeyACSIRTLMEZNHIZ-UHFFFAOYSA-N
XLogP3.89
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromoimidazo[1,2-a]pyridin-3-ol
CID 105466458
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine
CID 22038560
8-bromo-N-[1-(furan-3-yl)propan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 166355718
(4-amino-3,5-difluorophenyl)-(8-bromoimidazo[1,2-a]pyridin-3-yl)methanone
CID 166102479
1-(7-hydroxyimidazo[2,1-a]isoquinolin-3-yl)ethanone
CID 115035417
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
2-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 112713198
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82529321
N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol?
The IUPAC name of 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol (CID 164947783) is 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol.
What is the SMILES notation for 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol?
The canonical SMILES for 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol is CC(=O)c1cnc2c(Br)cccn12.OCc1cnc2c(Br)cccn12.
What is the InChIKey of 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol?
The InChIKey is ACSIRTLMEZNHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O.C8H7BrN2O/c1-6(13)8-5-11-9-7(10)3-2-4-12(8)9;9-7-2-1-3-11-6(5-12)4-10-8(7)11/h2-5H,1H3;1-4,12H,5H2.
What are the key properties of 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol?
1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol has a molecular weight of 466.13 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol is sourced from PubChem (CID 164947783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).