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

C13H9BrN2 — CID 68936519

IUPAC3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C13H9BrN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyMLGZDKYYBWAXCZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

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

3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68936519) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID68936519
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C13H9BrN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyMLGZDKYYBWAXCZ-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 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 68936519) is 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncc(-c3ccccc3)cc12.
What is the InChIKey of 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MLGZDKYYBWAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-12-8-16-13-11(12)6-10(7-15-13)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
3-bromo-5-phenyl-1H-pyrrolo[2,3-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 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68936519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).