8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid

C10H7BrN2O4 — CID 70244486

IUPAC8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(Br)c2nc(C(=O)O)cn12
InChIInChI=1S/C10H7BrN2O4/c1-17-10(16)7-3-2-5(11)8-12-6(9(14)15)4-13(7)8/h2-4H,1H3,(H,14,15)
InChIKeyKBVOZWFBOGTGHU-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.58
Rot. Bonds2

About 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid

8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 70244486) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID70244486
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOC(=O)c1ccc(Br)c2nc(C(=O)O)cn12
InChIInChI=1S/C10H7BrN2O4/c1-17-10(16)7-3-2-5(11)8-12-6(9(14)15)4-13(7)8/h2-4H,1H3,(H,14,15)
InChIKeyKBVOZWFBOGTGHU-UHFFFAOYSA-N
XLogP1.58
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.08
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872599
Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 7141939
Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 15152339
Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 22031055
Methyl imidazo[1,5-a]pyridine-1-carboxylate
CID 57245894
6-Bromo-3-fluoroimidazo(1,2-a)pyridine-2-carboxylic acid hydrochloride
CID 129767028
Cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 3192298
6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid
CID 2757018
Ethyl 6-bromo-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CID 12872594

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 70244486) is 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid is COC(=O)c1ccc(Br)c2nc(C(=O)O)cn12.
What is the InChIKey of 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KBVOZWFBOGTGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c1-17-10(16)7-3-2-5(11)8-12-6(9(14)15)4-13(7)8/h2-4H,1H3,(H,14,15).
What are the key properties of 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid?
8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 299.08 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 70244486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).