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

C7H7BrN2 — CID 71819650

IUPAC5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1ccc2c(n1)CCN2
InChIInChI=1S/C7H7BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-2,9H,3-4H2
InChIKeyRJKVOWZLMOHIRM-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.81
Rot. Bonds

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

5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 71819650) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID71819650
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1ccc2c(n1)CCN2
InChIInChI=1S/C7H7BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-2,9H,3-4H2
InChIKeyRJKVOWZLMOHIRM-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 71819650) is 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine is Brc1ccc2c(n1)CCN2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RJKVOWZLMOHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-2,9H,3-4H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71819650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).