3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid

C10H9BrN2O3 — CID 117255094

IUPAC3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1nc(Br)c2c(O)cccn12
InChIInChI=1S/C10H9BrN2O3/c11-10-9-6(14)2-1-5-13(9)7(12-10)3-4-8(15)16/h1-2,5,14H,3-4H2,(H,15,16)
InChIKeyAZUMOPZZCODZDG-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.82
Rot. Bonds3

About 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 117255094) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID117255094
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCc1nc(Br)c2c(O)cccn12
InChIInChI=1S/C10H9BrN2O3/c11-10-9-6(14)2-1-5-13(9)7(12-10)3-4-8(15)16/h1-2,5,14H,3-4H2,(H,15,16)
InChIKeyAZUMOPZZCODZDG-UHFFFAOYSA-N
XLogP1.82
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
1-bromo-3-propylimidazo[1,5-a]pyridin-8-amine
CID 117252409
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-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252385
3-(2-aminoethyl)-1-bromo-N,N-dimethylimidazo[1,5-a]pyridin-8-amine
CID 84743558
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 117255094) is 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid is O=C(O)CCc1nc(Br)c2c(O)cccn12.
What is the InChIKey of 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is AZUMOPZZCODZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-10-9-6(14)2-1-5-13(9)7(12-10)3-4-8(15)16/h1-2,5,14H,3-4H2,(H,15,16).
What are the key properties of 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 285.10 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-8-hydroxyimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 117255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).