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

C9H8BrN3O2 — CID 84743102

IUPAC3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNCc1nc(C(=O)O)c2cccc(Br)n12
InChIInChI=1S/C9H8BrN3O2/c10-6-3-1-2-5-8(9(14)15)12-7(4-11)13(5)6/h1-3H,4,11H2,(H,14,15)
InChIKeyFTGUVYSKAUJAGC-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.25
Rot. Bonds2

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

3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84743102) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84743102
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNCc1nc(C(=O)O)c2cccc(Br)n12
InChIInChI=1S/C9H8BrN3O2/c10-6-3-1-2-5-8(9(14)15)12-7(4-11)13(5)6/h1-3H,4,11H2,(H,14,15)
InChIKeyFTGUVYSKAUJAGC-UHFFFAOYSA-N
XLogP1.25
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid (CID 84743102) is 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is NCc1nc(C(=O)O)c2cccc(Br)n12.
What is the InChIKey of 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FTGUVYSKAUJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-6-3-1-2-5-8(9(14)15)12-7(4-11)13(5)6/h1-3H,4,11H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 270.09 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84743102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).