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

C13H10BrN3 — CID 117158425

IUPAC3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
SMILESNc1cccc(-c2ncc3ccc(Br)cn23)c1
InChIInChI=1S/C13H10BrN3/c14-10-4-5-12-7-16-13(17(12)8-10)9-2-1-3-11(15)6-9/h1-8H,15H2
InChIKeyBUPAQFBNJDCQQZ-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.35
Rot. Bonds1

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

3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline (PubChem CID 117158425) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
PubChem CID117158425
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
SMILESNc1cccc(-c2ncc3ccc(Br)cn23)c1
InChIInChI=1S/C13H10BrN3/c14-10-4-5-12-7-16-13(17(12)8-10)9-2-1-3-11(15)6-9/h1-8H,15H2
InChIKeyBUPAQFBNJDCQQZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The IUPAC name of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline (CID 117158425) is 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline.
What is the SMILES notation for 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The canonical SMILES for 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline is Nc1cccc(-c2ncc3ccc(Br)cn23)c1.
What is the InChIKey of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
The InChIKey is BUPAQFBNJDCQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-10-4-5-12-7-16-13(17(12)8-10)9-2-1-3-11(15)6-9/h1-8H,15H2.
What are the key properties of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline?
3-(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 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline is sourced from PubChem (CID 117158425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).