1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid

C8H5BrN2O2 — CID 83678820

IUPAC1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(Br)c2ccccn12
InChIInChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H,(H,12,13)
InChIKeyZHBCSASHICLCOL-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

About 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid

1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 83678820) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID83678820
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nc(Br)c2ccccn12
InChIInChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H,(H,12,13)
InChIKeyZHBCSASHICLCOL-UHFFFAOYSA-N
XLogP1.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
Methyl 2-[(6-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3244857
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648
5-Imidazo[1,5-a]pyridin-5-yl-penta-2,4-dienoic acid
CID 13206156
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872599
1-(Pyridin-2-ylmethyl)-1H-imidazole-2-carboxylic acid
CID 86276928
5-Bromo-3-methylimidazo(1,2-a)pyridine
CID 12637722
1-Bromoimidazo(1,5-a)pyridine
CID 55255074
6-Bromo-3-fluoroimidazo(1,2-a)pyridine-2-carboxylic acid hydrochloride
CID 129767028
4-(7-Bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid
CID 154702349

Frequently Asked Questions

What is the IUPAC name of 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid (CID 83678820) is 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1nc(Br)c2ccccn12.
What is the InChIKey of 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is ZHBCSASHICLCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H,(H,12,13).
What are the key properties of 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid?
1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83678820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).