2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

C13H9BrN2O — CID 70973837

IUPAC2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C13H9BrN2O/c14-8-5-10-11(7-16-13(10)15-6-8)9-3-1-2-4-12(9)17/h1-7,17H,(H,15,16)
InChIKeyYVBWMIYZVRRITA-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.70
Rot. Bonds1

About 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (PubChem CID 70973837) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
PubChem CID70973837
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccccc1-c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C13H9BrN2O/c14-8-5-10-11(7-16-13(10)15-6-8)9-3-1-2-4-12(9)17/h1-7,17H,(H,15,16)
InChIKeyYVBWMIYZVRRITA-UHFFFAOYSA-N
XLogP3.70
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (CID 70973837) is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.
What is the SMILES notation for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The canonical SMILES for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is Oc1ccccc1-c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The InChIKey is YVBWMIYZVRRITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-8-5-10-11(7-16-13(10)15-6-8)9-3-1-2-4-12(9)17/h1-7,17H,(H,15,16).
What are the key properties of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol has a molecular weight of 289.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is sourced from PubChem (CID 70973837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).