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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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).