5-bromo-3-phenyl-1H-indazole

C13H9BrN2 — CID 623415

IUPAC5-bromo-3-phenyl-1H-indazole
SMILESBrc1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C13H9BrN2/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyQXKKPVVOOWBLND-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.99
Rot. Bonds1

About 5-bromo-3-phenyl-1H-indazole

5-bromo-3-phenyl-1H-indazole (PubChem CID 623415) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-phenyl-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-phenyl-1H-indazole
PubChem CID623415
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name5-bromo-3-phenyl-1H-indazole
SMILESBrc1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C13H9BrN2/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyQXKKPVVOOWBLND-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenyl-1H-indazole?
The IUPAC name of 5-bromo-3-phenyl-1H-indazole (CID 623415) is 5-bromo-3-phenyl-1H-indazole.
What is the SMILES notation for 5-bromo-3-phenyl-1H-indazole?
The canonical SMILES for 5-bromo-3-phenyl-1H-indazole is Brc1ccc2[nH]nc(-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-phenyl-1H-indazole?
The InChIKey is QXKKPVVOOWBLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 5-bromo-3-phenyl-1H-indazole?
5-bromo-3-phenyl-1H-indazole 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-bromo-3-phenyl-1H-indazole is sourced from PubChem (CID 623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).