8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid

C10H7BrN2O4 — CID 117255069

IUPAC8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)n2cccc(Br)c12
InChIInChI=1S/C10H7BrN2O4/c1-17-10(16)6-7-5(11)3-2-4-13(7)8(12-6)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyOLVVGWCFFPSTEJ-UHFFFAOYSA-N
MW299.08 g/mol
LogP1.58
Rot. Bonds2

About 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid

8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 117255069) has the molecular formula C10H7BrN2O4 and a molecular weight of 299.08 g/mol. Its IUPAC name is 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID117255069
Molecular FormulaC10H7BrN2O4
Molecular Weight299.08 g/mol
Exact Mass297.96
IUPAC Name8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)n2cccc(Br)c12
InChIInChI=1S/C10H7BrN2O4/c1-17-10(16)6-7-5(11)3-2-4-13(7)8(12-6)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeyOLVVGWCFFPSTEJ-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

methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744258
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid (CID 117255069) is 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid is COC(=O)c1nc(C(=O)O)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is OLVVGWCFFPSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4/c1-17-10(16)6-7-5(11)3-2-4-13(7)8(12-6)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid?
8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-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-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 117255069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).