6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine

C17H11BrN4 — CID 118723081

IUPAC6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1
InChIInChI=1S/C17H11BrN4/c18-13-9-15-16(20-10-13)22-17(21-15)14-8-12(6-7-19-14)11-4-2-1-3-5-11/h1-10H,(H,20,21,22)
InChIKeyPNNQCUOJZOFFIJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.45
Rot. Bonds2

About 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 118723081) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
PubChem CID118723081
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1
InChIInChI=1S/C17H11BrN4/c18-13-9-15-16(20-10-13)22-17(21-15)14-8-12(6-7-19-14)11-4-2-1-3-5-11/h1-10H,(H,20,21,22)
InChIKeyPNNQCUOJZOFFIJ-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine (CID 118723081) is 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3cc(-c4ccccc4)ccn3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is PNNQCUOJZOFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-13-9-15-16(20-10-13)22-17(21-15)14-8-12(6-7-19-14)11-4-2-1-3-5-11/h1-10H,(H,20,21,22).
What are the key properties of 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 351.21 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-phenyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118723081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).