7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine

C13H9BrN2 — CID 82375046

IUPAC7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1cc(-c2ccccc2)nc2cc[nH]c12
InChIInChI=1S/C13H9BrN2/c14-10-8-12(9-4-2-1-3-5-9)16-11-6-7-15-13(10)11/h1-8,15H
InChIKeyMZYYNERVXMGELU-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

About 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine

7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 82375046) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID82375046
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1cc(-c2ccccc2)nc2cc[nH]c12
InChIInChI=1S/C13H9BrN2/c14-10-8-12(9-4-2-1-3-5-9)16-11-6-7-15-13(10)11/h1-8,15H
InChIKeyMZYYNERVXMGELU-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine (CID 82375046) is 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine is Brc1cc(-c2ccccc2)nc2cc[nH]c12.
What is the InChIKey of 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is MZYYNERVXMGELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-10-8-12(9-4-2-1-3-5-9)16-11-6-7-15-13(10)11/h1-8,15H.
What are the key properties of 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine?
7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 273.13 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-phenyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 82375046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).