8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C11H9BrN2O4 — CID 84744413

IUPAC8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C11H9BrN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18)
InChIKeyHJBXGFPKRCVGQD-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.81
Rot. Bonds4

About 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84744413) has the molecular formula C11H9BrN2O4 and a molecular weight of 313.11 g/mol. Its IUPAC name is 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84744413
Molecular FormulaC11H9BrN2O4
Molecular Weight313.11 g/mol
Exact Mass311.97
IUPAC Name8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)CCc1nc(C(=O)O)c2c(Br)cccn12
InChIInChI=1S/C11H9BrN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18)
InChIKeyHJBXGFPKRCVGQD-UHFFFAOYSA-N
XLogP1.81
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117255094
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
8-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744258
3-(1-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254893
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84744413) is 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)CCc1nc(C(=O)O)c2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HJBXGFPKRCVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4/c12-6-2-1-5-14-7(3-4-8(15)16)13-9(10(6)14)11(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 313.11 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84744413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).