3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole

C14H8BrF3N2 — CID 175800117

IUPAC3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
SMILESFC(F)(F)c1ccccc1-c1ccc2c(Br)[nH]nc2c1
InChIInChI=1S/C14H8BrF3N2/c15-13-10-6-5-8(7-12(10)19-20-13)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
InChIKeyCYDFDAUIENACQQ-UHFFFAOYSA-N
MW341.13 g/mol
LogP5.01
Rot. Bonds1

About 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole

3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole (PubChem CID 175800117) has the molecular formula C14H8BrF3N2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole.

Molecular Properties

Compound Name3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
PubChem CID175800117
Molecular FormulaC14H8BrF3N2
Molecular Weight341.13 g/mol
Exact Mass339.98
IUPAC Name3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
SMILESFC(F)(F)c1ccccc1-c1ccc2c(Br)[nH]nc2c1
InChIInChI=1S/C14H8BrF3N2/c15-13-10-6-5-8(7-12(10)19-20-13)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
InChIKeyCYDFDAUIENACQQ-UHFFFAOYSA-N
XLogP5.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.13
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 70796358
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
5-[2-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazole
CID 123601065
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 59800544
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
1-[2-bromo-4-[2-(trifluoromethyl)phenyl]phenyl]ethanone
CID 70268237
3-bromo-6-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
CID 119081498
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole?
The IUPAC name of 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole (CID 175800117) is 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole.
What is the SMILES notation for 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole?
The canonical SMILES for 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole is FC(F)(F)c1ccccc1-c1ccc2c(Br)[nH]nc2c1.
What is the InChIKey of 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole?
The InChIKey is CYDFDAUIENACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2/c15-13-10-6-5-8(7-12(10)19-20-13)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole?
3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole has a molecular weight of 341.13 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole is sourced from PubChem (CID 175800117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).