3-bromo-1-(difluoromethyl)indazole

C8H5BrF2N2 — CID 151371947

IUPAC3-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1nc(Br)c2ccccc21
InChIInChI=1S/C8H5BrF2N2/c9-7-5-3-1-2-4-6(5)13(12-7)8(10)11/h1-4,8H
InChIKeyOQPWYSSNAGZTSF-UHFFFAOYSA-N
MW247.04 g/mol
LogP3.19
Rot. Bonds1

About 3-bromo-1-(difluoromethyl)indazole

3-bromo-1-(difluoromethyl)indazole (PubChem CID 151371947) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)indazole.

Molecular Properties

Compound Name3-bromo-1-(difluoromethyl)indazole
PubChem CID151371947
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name3-bromo-1-(difluoromethyl)indazole
SMILESFC(F)n1nc(Br)c2ccccc21
InChIInChI=1S/C8H5BrF2N2/c9-7-5-3-1-2-4-6(5)13(12-7)8(10)11/h1-4,8H
InChIKeyOQPWYSSNAGZTSF-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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Related Compounds

1-Methyl-1H-indazole
CID 139456
4-Bromo-1-methyl-1H-indazole
CID 22558986
4-Bromo-2-methyl-2H-indazole
CID 22559031
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
3-ethynyl-2-methyl-2H-indazole
CID 12244152
3-Bromo-1-methyl-1H-indazole
CID 22419368
6-Bromo-1-methyl-1H-indazole
CID 22558675
3-bromo-1-(oxan-2-yl)-1H-indazole
CID 67059754
6-Bromo-3-iodo-1-methyl-1H-indazole
CID 76846143
(1-methyl-1H-indazol-3-yl)methanamine
CID 7537468
2-(1-methyl-1H-indazol-3-yl)ethan-1-amine
CID 65836719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)indazole?
The IUPAC name of 3-bromo-1-(difluoromethyl)indazole (CID 151371947) is 3-bromo-1-(difluoromethyl)indazole.
What is the SMILES notation for 3-bromo-1-(difluoromethyl)indazole?
The canonical SMILES for 3-bromo-1-(difluoromethyl)indazole is FC(F)n1nc(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-(difluoromethyl)indazole?
The InChIKey is OQPWYSSNAGZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-7-5-3-1-2-4-6(5)13(12-7)8(10)11/h1-4,8H.
What are the key properties of 3-bromo-1-(difluoromethyl)indazole?
3-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 3-bromo-1-(difluoromethyl)indazole is sourced from PubChem (CID 151371947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).