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

C7H5BrN2 — CID 24729356

IUPAC5-bromo-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1ccc2[nH]ccc2n1
InChIInChI=1S/C7H5BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H
InChIKeyKJTANNMEOBCHKP-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.33
Rot. Bonds

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

5-bromo-1H-pyrrolo[3,2-b]pyridine (PubChem CID 24729356) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-1H-pyrrolo[3,2-b]pyridine
PubChem CID24729356
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name5-bromo-1H-pyrrolo[3,2-b]pyridine
SMILESBrc1ccc2[nH]ccc2n1
InChIInChI=1S/C7H5BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H
InChIKeyKJTANNMEOBCHKP-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-1H-pyrrolo[3,2-b]pyridine (CID 24729356) is 5-bromo-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-1H-pyrrolo[3,2-b]pyridine is Brc1ccc2[nH]ccc2n1.
What is the InChIKey of 5-bromo-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KJTANNMEOBCHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H.
What are the key properties of 5-bromo-1H-pyrrolo[3,2-b]pyridine?
5-bromo-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 197.04 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 24729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).