4-bromo-1-(difluoromethyl)indazole

C8H5BrF2N2 — CID 166076786

IUPAC4-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1ncc2c(Br)cccc21
InChIInChI=1S/C8H5BrF2N2/c9-6-2-1-3-7-5(6)4-12-13(7)8(10)11/h1-4,8H
InChIKeyHHKGHTNPTWUYNB-UHFFFAOYSA-N
MW247.04 g/mol
LogP3.19
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)indazole

4-bromo-1-(difluoromethyl)indazole (PubChem CID 166076786) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)indazole.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)indazole
PubChem CID166076786
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name4-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1ncc2c(Br)cccc21
InChIInChI=1S/C8H5BrF2N2/c9-6-2-1-3-7-5(6)4-12-13(7)8(10)11/h1-4,8H
InChIKeyHHKGHTNPTWUYNB-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)indazole?
The IUPAC name of 4-bromo-1-(difluoromethyl)indazole (CID 166076786) is 4-bromo-1-(difluoromethyl)indazole.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)indazole?
The canonical SMILES for 4-bromo-1-(difluoromethyl)indazole is FC(F)n1ncc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-(difluoromethyl)indazole?
The InChIKey is HHKGHTNPTWUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-6-2-1-3-7-5(6)4-12-13(7)8(10)11/h1-4,8H.
What are the key properties of 4-bromo-1-(difluoromethyl)indazole?
4-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 4-bromo-1-(difluoromethyl)indazole is sourced from PubChem (CID 166076786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).