[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C14H12BrN3 — CID 2757120

IUPAC[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc(Br)cc2)nc2ccccn12
InChIInChI=1S/C14H12BrN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-8H,9,16H2
InChIKeyJJMNJHSETVNICF-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.22
Rot. Bonds2

About [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 2757120) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID2757120
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc(Br)cc2)nc2ccccn12
InChIInChI=1S/C14H12BrN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-8H,9,16H2
InChIKeyJJMNJHSETVNICF-UHFFFAOYSA-N
XLogP3.22
TPSA43.32 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 2757120) is [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(-c2ccc(Br)cc2)nc2ccccn12.
What is the InChIKey of [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is JJMNJHSETVNICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-11-6-4-10(5-7-11)14-12(9-16)18-8-2-1-3-13(18)17-14/h1-8H,9,16H2.
What are the key properties of [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 302.18 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 2757120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).