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

C8H5BrN2O2 — CID 52987654

IUPAC3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(Br)n2ccccc12
InChIInChI=1S/C8H5BrN2O2/c9-8-10-6(7(12)13)5-3-1-2-4-11(5)8/h1-4H,(H,12,13)
InChIKeyVPWMZWDPDKBVGR-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.79
Rot. Bonds1

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

3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 52987654) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID52987654
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(Br)n2ccccc12
InChIInChI=1S/C8H5BrN2O2/c9-8-10-6(7(12)13)5-3-1-2-4-11(5)8/h1-4H,(H,12,13)
InChIKeyVPWMZWDPDKBVGR-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 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (CID 52987654) is 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(Br)n2ccccc12.
What is the InChIKey of 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is VPWMZWDPDKBVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-8-10-6(7(12)13)5-3-1-2-4-11(5)8/h1-4H,(H,12,13).
What are the key properties of 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
3-bromoimidazo[1,5-a]pyridine-1-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 3-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 52987654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).