2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine

C12H7BrClN3 — CID 3266811

IUPAC2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(-c3ccc(Br)cc3)[nH]c2c1
InChIInChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)11-16-10-5-9(14)6-15-12(10)17-11/h1-6H,(H,15,16,17)
InChIKeyXPAXUFVDAHRGSM-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.04
Rot. Bonds1

About 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine

2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine (PubChem CID 3266811) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
PubChem CID3266811
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
SMILESClc1cnc2nc(-c3ccc(Br)cc3)[nH]c2c1
InChIInChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)11-16-10-5-9(14)6-15-12(10)17-11/h1-6H,(H,15,16,17)
InChIKeyXPAXUFVDAHRGSM-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine (CID 3266811) is 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine is Clc1cnc2nc(-c3ccc(Br)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine?
The InChIKey is XPAXUFVDAHRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)11-16-10-5-9(14)6-15-12(10)17-11/h1-6H,(H,15,16,17).
What are the key properties of 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine?
2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine has a molecular weight of 308.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 3266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).