6-bromo-1-(difluoromethyl)indazole

C8H5BrF2N2 — CID 150080231

IUPAC6-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1ncc2ccc(Br)cc21
InChIInChI=1S/C8H5BrF2N2/c9-6-2-1-5-4-12-13(8(10)11)7(5)3-6/h1-4,8H
InChIKeyDRCPBAHORNBIHJ-UHFFFAOYSA-N
MW247.04 g/mol
LogP3.19
Rot. Bonds1

About 6-bromo-1-(difluoromethyl)indazole

6-bromo-1-(difluoromethyl)indazole (PubChem CID 150080231) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 6-bromo-1-(difluoromethyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(difluoromethyl)indazole
PubChem CID150080231
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name6-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1ncc2ccc(Br)cc21
InChIInChI=1S/C8H5BrF2N2/c9-6-2-1-5-4-12-13(8(10)11)7(5)3-6/h1-4,8H
InChIKeyDRCPBAHORNBIHJ-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1-(difluoromethyl)indazole 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-(difluoromethyl)indazole?
The IUPAC name of 6-bromo-1-(difluoromethyl)indazole (CID 150080231) is 6-bromo-1-(difluoromethyl)indazole.
What is the SMILES notation for 6-bromo-1-(difluoromethyl)indazole?
The canonical SMILES for 6-bromo-1-(difluoromethyl)indazole is FC(F)n1ncc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(difluoromethyl)indazole?
The InChIKey is DRCPBAHORNBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-6-2-1-5-4-12-13(8(10)11)7(5)3-6/h1-4,8H.
What are the key properties of 6-bromo-1-(difluoromethyl)indazole?
6-bromo-1-(difluoromethyl)indazole has a molecular weight of 247.04 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(difluoromethyl)indazole is sourced from PubChem (CID 150080231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).