3-bromo-7-(trifluoromethoxy)-2H-indazole

C8H4BrF3N2O — CID 133060231

IUPAC3-bromo-7-(trifluoromethoxy)-2H-indazole
SMILESFC(F)(F)Oc1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H4BrF3N2O/c9-7-4-2-1-3-5(6(4)13-14-7)15-8(10,11)12/h1-3H,(H,13,14)
InChIKeyQOJMQXPCMVXTEN-UHFFFAOYSA-N
MW281.03 g/mol
LogP3.22
Rot. Bonds1

About 3-bromo-7-(trifluoromethoxy)-2H-indazole

3-bromo-7-(trifluoromethoxy)-2H-indazole (PubChem CID 133060231) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 3-bromo-7-(trifluoromethoxy)-2H-indazole.

Molecular Properties

Compound Name3-bromo-7-(trifluoromethoxy)-2H-indazole
PubChem CID133060231
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name3-bromo-7-(trifluoromethoxy)-2H-indazole
SMILESFC(F)(F)Oc1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H4BrF3N2O/c9-7-4-2-1-3-5(6(4)13-14-7)15-8(10,11)12/h1-3H,(H,13,14)
InChIKeyQOJMQXPCMVXTEN-UHFFFAOYSA-N
XLogP3.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(trifluoromethoxy)-2H-indazole?
The IUPAC name of 3-bromo-7-(trifluoromethoxy)-2H-indazole (CID 133060231) is 3-bromo-7-(trifluoromethoxy)-2H-indazole.
What is the SMILES notation for 3-bromo-7-(trifluoromethoxy)-2H-indazole?
The canonical SMILES for 3-bromo-7-(trifluoromethoxy)-2H-indazole is FC(F)(F)Oc1cccc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-7-(trifluoromethoxy)-2H-indazole?
The InChIKey is QOJMQXPCMVXTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c9-7-4-2-1-3-5(6(4)13-14-7)15-8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 3-bromo-7-(trifluoromethoxy)-2H-indazole?
3-bromo-7-(trifluoromethoxy)-2H-indazole has a molecular weight of 281.03 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(trifluoromethoxy)-2H-indazole is sourced from PubChem (CID 133060231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).