2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine

C13H9BrN2 — CID 119012312

IUPAC2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cc2c(-c3ccccc3)ccnc2[nH]1
InChIInChI=1S/C13H9BrN2/c14-12-8-11-10(6-7-15-13(11)16-12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyDGTZNVRTOBNCMR-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

About 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine

2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 119012312) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID119012312
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cc2c(-c3ccccc3)ccnc2[nH]1
InChIInChI=1S/C13H9BrN2/c14-12-8-11-10(6-7-15-13(11)16-12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyDGTZNVRTOBNCMR-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

Analyze 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 59151344
6-phenyl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 15319205
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 82376068
4-phenyl-1,8-naphthyridine
CID 21147452
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570945
6-methyl-4-phenylquinoline
CID 15512349
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 119012312) is 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine is Brc1cc2c(-c3ccccc3)ccnc2[nH]1.
What is the InChIKey of 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DGTZNVRTOBNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-12-8-11-10(6-7-15-13(11)16-12)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
2-bromo-4-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 2-bromo-4-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 119012312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).