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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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
Meridianin D
CID 401171
Meridianin C
CID 10017019
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
7-Azaindole-3-carbonitrile
CID 10313195
9H-Pyrido(2,3-b)indole
CID 67486
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319

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).