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

C7H7BrN2 — CID 89143858

IUPAC3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1CNc2ncccc21
InChIInChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10)
InChIKeyFBYCOZNFCAODCF-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.94
Rot. Bonds

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

3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89143858) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89143858
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1CNc2ncccc21
InChIInChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10)
InChIKeyFBYCOZNFCAODCF-UHFFFAOYSA-N
XLogP1.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89143858) is 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is BrC1CNc2ncccc21.
What is the InChIKey of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FBYCOZNFCAODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10).
What are the key properties of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).