ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate

C16H12BrFN2O2 — CID 22032276

IUPACethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(-c2cnc3ccc(Br)cn23)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-2-22-16(21)12-5-3-10(7-13(12)18)14-8-19-15-6-4-11(17)9-20(14)15/h3-9H,2H2,1H3
InChIKeyLTZGYMXOJHHFTA-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.08
Rot. Bonds3

About ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate

ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate (PubChem CID 22032276) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate.

Molecular Properties

Compound Nameethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
PubChem CID22032276
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Nameethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
SMILESCCOC(=O)c1ccc(-c2cnc3ccc(Br)cn23)cc1F
InChIInChI=1S/C16H12BrFN2O2/c1-2-22-16(21)12-5-3-10(7-13(12)18)14-8-19-15-6-4-11(17)9-20(14)15/h3-9H,2H2,1H3
InChIKeyLTZGYMXOJHHFTA-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
2-chloro-5-(4-ethoxycarbonyl-3-fluorophenyl)pyridine-4-carboxylic acid
CID 53224396
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387935
ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 131697608
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate?
The IUPAC name of ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate (CID 22032276) is ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate.
What is the SMILES notation for ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate?
The canonical SMILES for ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate is CCOC(=O)c1ccc(-c2cnc3ccc(Br)cn23)cc1F.
What is the InChIKey of ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate?
The InChIKey is LTZGYMXOJHHFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-2-22-16(21)12-5-3-10(7-13(12)18)14-8-19-15-6-4-11(17)9-20(14)15/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate?
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate has a molecular weight of 363.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate is sourced from PubChem (CID 22032276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).