methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

C9H7BrN2O2 — CID 76849597

IUPACmethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-11-8-3-2-6(10)5-12(7)8/h2-5H,1H3
InChIKeyNHXJSXODXXXSKC-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.88
Rot. Bonds1

About methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 76849597) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID76849597
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-11-8-3-2-6(10)5-12(7)8/h2-5H,1H3
InChIKeyNHXJSXODXXXSKC-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (CID 76849597) is methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is NHXJSXODXXXSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-11-8-3-2-6(10)5-12(7)8/h2-5H,1H3.
What are the key properties of methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 255.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 76849597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).