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

C15H12BrN3 — CID 23025701

IUPAC6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CC3c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12BrN3/c16-10-6-13-15(17-8-10)19-14(18-13)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H,17,18,19)
InChIKeyZMDZTRJAZDSUTC-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.99
Rot. Bonds2

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

6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025701) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025701
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CC3c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12BrN3/c16-10-6-13-15(17-8-10)19-14(18-13)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H,17,18,19)
InChIKeyZMDZTRJAZDSUTC-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine (CID 23025701) is 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(C3CC3c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZMDZTRJAZDSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-10-6-13-15(17-8-10)19-14(18-13)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H,17,18,19).
What are the key properties of 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 314.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).