5-(6-bromo-3-pyridinyl)-1H-indole

C13H9BrN2 — CID 59145382

IUPAC5-(6-bromo-3-pyridinyl)-1H-indole
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H9BrN2/c14-13-4-2-11(8-16-13)9-1-3-12-10(7-9)5-6-15-12/h1-8,15H
InChIKeyGTULZYHURKGBDC-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

About 5-(6-bromo-3-pyridinyl)-1H-indole

5-(6-bromo-3-pyridinyl)-1H-indole (PubChem CID 59145382) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-(6-bromo-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name5-(6-bromo-3-pyridinyl)-1H-indole
PubChem CID59145382
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name5-(6-bromo-3-pyridinyl)-1H-indole
SMILESBrc1ccc(-c2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H9BrN2/c14-13-4-2-11(8-16-13)9-1-3-12-10(7-9)5-6-15-12/h1-8,15H
InChIKeyGTULZYHURKGBDC-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

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-(6-bromo-3-pyridinyl)-1H-indole?
The IUPAC name of 5-(6-bromo-3-pyridinyl)-1H-indole (CID 59145382) is 5-(6-bromo-3-pyridinyl)-1H-indole.
What is the SMILES notation for 5-(6-bromo-3-pyridinyl)-1H-indole?
The canonical SMILES for 5-(6-bromo-3-pyridinyl)-1H-indole is Brc1ccc(-c2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of 5-(6-bromo-3-pyridinyl)-1H-indole?
The InChIKey is GTULZYHURKGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-13-4-2-11(8-16-13)9-1-3-12-10(7-9)5-6-15-12/h1-8,15H.
What are the key properties of 5-(6-bromo-3-pyridinyl)-1H-indole?
5-(6-bromo-3-pyridinyl)-1H-indole 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 5-(6-bromo-3-pyridinyl)-1H-indole is sourced from PubChem (CID 59145382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).