4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline

C14H12BrN3 — CID 116984844

IUPAC4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc(Br)c3ccccn23)cc1
InChIInChI=1S/C14H12BrN3/c1-16-11-7-5-10(6-8-11)14-17-13(15)12-4-2-3-9-18(12)14/h2-9,16H,1H3
InChIKeyOGRRKNJXIMODDT-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.81
Rot. Bonds2

About 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline

4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline (PubChem CID 116984844) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline
PubChem CID116984844
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc(Br)c3ccccn23)cc1
InChIInChI=1S/C14H12BrN3/c1-16-11-7-5-10(6-8-11)14-17-13(15)12-4-2-3-9-18(12)14/h2-9,16H,1H3
InChIKeyOGRRKNJXIMODDT-UHFFFAOYSA-N
XLogP3.81
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine
CID 137014798
1-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine
CID 28798071
1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
CID 116836587
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-7-amine
CID 84744531
1-bromo-6-methyl-3-phenylimidazo[1,5-a]pyridine
CID 84743668
1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
CID 28797067
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
CID 28798022
1-bromo-3-(2,4-difluorophenyl)imidazo[1,5-a]pyridine
CID 116836595
1-bromo-3-phenylimidazo[1,5-a]pyridin-7-ol
CID 117251893

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline?
The IUPAC name of 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline (CID 116984844) is 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline.
What is the SMILES notation for 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline?
The canonical SMILES for 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline is CNc1ccc(-c2nc(Br)c3ccccn23)cc1.
What is the InChIKey of 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline?
The InChIKey is OGRRKNJXIMODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-16-11-7-5-10(6-8-11)14-17-13(15)12-4-2-3-9-18(12)14/h2-9,16H,1H3.
What are the key properties of 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline?
4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline has a molecular weight of 302.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoimidazo[1,5-a]pyridin-3-yl)-N-methylaniline is sourced from PubChem (CID 116984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).