6-bromo-1-pyridin-2-ylindazole

C12H8BrN3 — CID 118663709

IUPAC6-bromo-1-pyridin-2-ylindazole
SMILESBrc1ccc2cnn(-c3ccccn3)c2c1
InChIInChI=1S/C12H8BrN3/c13-10-5-4-9-8-15-16(11(9)7-10)12-3-1-2-6-14-12/h1-8H
InChIKeyWOAIQSNQLOYLNV-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds1

About 6-bromo-1-pyridin-2-ylindazole

6-bromo-1-pyridin-2-ylindazole (PubChem CID 118663709) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 6-bromo-1-pyridin-2-ylindazole.

Molecular Properties

Compound Name6-bromo-1-pyridin-2-ylindazole
PubChem CID118663709
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name6-bromo-1-pyridin-2-ylindazole
SMILESBrc1ccc2cnn(-c3ccccn3)c2c1
InChIInChI=1S/C12H8BrN3/c13-10-5-4-9-8-15-16(11(9)7-10)12-3-1-2-6-14-12/h1-8H
InChIKeyWOAIQSNQLOYLNV-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-pyridin-2-ylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-pyridin-2-ylindazole?
The IUPAC name of 6-bromo-1-pyridin-2-ylindazole (CID 118663709) is 6-bromo-1-pyridin-2-ylindazole.
What is the SMILES notation for 6-bromo-1-pyridin-2-ylindazole?
The canonical SMILES for 6-bromo-1-pyridin-2-ylindazole is Brc1ccc2cnn(-c3ccccn3)c2c1.
What is the InChIKey of 6-bromo-1-pyridin-2-ylindazole?
The InChIKey is WOAIQSNQLOYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-10-5-4-9-8-15-16(11(9)7-10)12-3-1-2-6-14-12/h1-8H.
What are the key properties of 6-bromo-1-pyridin-2-ylindazole?
6-bromo-1-pyridin-2-ylindazole has a molecular weight of 274.12 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-pyridin-2-ylindazole is sourced from PubChem (CID 118663709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).