4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline

C13H10BrN3 — CID 117158440

IUPAC4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2ncc3ccc(Br)cn23)cc1
InChIInChI=1S/C13H10BrN3/c14-10-3-6-12-7-16-13(17(12)8-10)9-1-4-11(15)5-2-9/h1-8H,15H2
InChIKeyJGRLTJFIKWJLGY-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.35
Rot. Bonds1

About 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline

4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline (PubChem CID 117158440) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
PubChem CID117158440
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2ncc3ccc(Br)cn23)cc1
InChIInChI=1S/C13H10BrN3/c14-10-3-6-12-7-16-13(17(12)8-10)9-1-4-11(15)5-2-9/h1-8H,15H2
InChIKeyJGRLTJFIKWJLGY-UHFFFAOYSA-N
XLogP3.35
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-phenylimidazo[1,5-a]pyridine
CID 71535466
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
CID 117158425
[3-(4-bromophenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138416
4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
CID 101425986
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158432
6-bromo-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117139659
3-(2-fluorophenyl)imidazo[1,5-a]pyridin-6-amine
CID 117139834
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
3-(4-fluorophenyl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 84736961
4-(6-bromoimidazo[1,2-a]pyrazin-3-yl)aniline
CID 134505000
1-(6-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-ol
CID 117253407
2-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 76849622

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The IUPAC name of 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline (CID 117158440) is 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline.
What is the SMILES notation for 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The canonical SMILES for 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline is Nc1ccc(-c2ncc3ccc(Br)cn23)cc1.
What is the InChIKey of 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The InChIKey is JGRLTJFIKWJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-10-3-6-12-7-16-13(17(12)8-10)9-1-4-11(15)5-2-9/h1-8H,15H2.
What are the key properties of 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline has a molecular weight of 288.15 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline is sourced from PubChem (CID 117158440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).