2-bromo-6-(trifluoromethoxy)indazole

C8H4BrF3N2O — CID 150469832

IUPAC2-bromo-6-(trifluoromethoxy)indazole
SMILESFC(F)(F)Oc1ccc2cn(Br)nc2c1
InChIInChI=1S/C8H4BrF3N2O/c9-14-4-5-1-2-6(3-7(5)13-14)15-8(10,11)12/h1-4H
InChIKeyHROLBQMKCHRYEE-UHFFFAOYSA-N
MW281.03 g/mol
LogP3.09
Rot. Bonds1

About 2-bromo-6-(trifluoromethoxy)indazole

2-bromo-6-(trifluoromethoxy)indazole (PubChem CID 150469832) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethoxy)indazole.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethoxy)indazole
PubChem CID150469832
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name2-bromo-6-(trifluoromethoxy)indazole
SMILESFC(F)(F)Oc1ccc2cn(Br)nc2c1
InChIInChI=1S/C8H4BrF3N2O/c9-14-4-5-1-2-6(3-7(5)13-14)15-8(10,11)12/h1-4H
InChIKeyHROLBQMKCHRYEE-UHFFFAOYSA-N
XLogP3.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
CID 171483142
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
3-iodo-6-(trifluoromethoxy)-2H-indazole
CID 124518985
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
7-(trifluoromethoxy)quinoline-3-carbonitrile
CID 143333588
N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)indazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
CID 122625157
2-(2-methyldiazetidin-1-yl)-6-(trifluoromethoxy)quinoline
CID 142873912
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
2-bromo-1-[5-(trifluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 170837803
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethoxy)indazole?
The IUPAC name of 2-bromo-6-(trifluoromethoxy)indazole (CID 150469832) is 2-bromo-6-(trifluoromethoxy)indazole.
What is the SMILES notation for 2-bromo-6-(trifluoromethoxy)indazole?
The canonical SMILES for 2-bromo-6-(trifluoromethoxy)indazole is FC(F)(F)Oc1ccc2cn(Br)nc2c1.
What is the InChIKey of 2-bromo-6-(trifluoromethoxy)indazole?
The InChIKey is HROLBQMKCHRYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c9-14-4-5-1-2-6(3-7(5)13-14)15-8(10,11)12/h1-4H.
What are the key properties of 2-bromo-6-(trifluoromethoxy)indazole?
2-bromo-6-(trifluoromethoxy)indazole has a molecular weight of 281.03 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethoxy)indazole is sourced from PubChem (CID 150469832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).