methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide

C9H9Br3N2O2 — CID 75531045

IUPACmethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
SMILESBr.Br.COC(=O)c1nc2ccccn2c1Br
InChIInChI=1S/C9H7BrN2O2.2BrH/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7;;/h2-5H,1H3;2*1H
InChIKeyCJEUOYSJCKPDJK-UHFFFAOYSA-N
MW416.90 g/mol
LogP3.04
Rot. Bonds1

About methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide

methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide (PubChem CID 75531045) has the molecular formula C9H9Br3N2O2 and a molecular weight of 416.90 g/mol. Its IUPAC name is methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide.

Molecular Properties

Compound Namemethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
PubChem CID75531045
Molecular FormulaC9H9Br3N2O2
Molecular Weight416.90 g/mol
Exact Mass413.82
IUPAC Namemethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
SMILESBr.Br.COC(=O)c1nc2ccccn2c1Br
InChIInChI=1S/C9H7BrN2O2.2BrH/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7;;/h2-5H,1H3;2*1H
InChIKeyCJEUOYSJCKPDJK-UHFFFAOYSA-N
XLogP3.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.90
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 154211458
methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 46948729
3-bromo-N-(1-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 140676211
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 83693870
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197
methyl 2-[(3-ethylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoate
CID 123789390
methyl 3-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylpropanoate
CID 63835303
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117255069

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide?
The IUPAC name of methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide (CID 75531045) is methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide.
What is the SMILES notation for methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide?
The canonical SMILES for methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide is Br.Br.COC(=O)c1nc2ccccn2c1Br.
What is the InChIKey of methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide?
The InChIKey is CJEUOYSJCKPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2.2BrH/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7;;/h2-5H,1H3;2*1H.
What are the key properties of methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide?
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide has a molecular weight of 416.90 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide is sourced from PubChem (CID 75531045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).