3-bromo-1-ethyl-7-(trifluoromethoxy)indazole

C10H8BrF3N2O — CID 133054758

IUPAC3-bromo-1-ethyl-7-(trifluoromethoxy)indazole
SMILESCCn1nc(Br)c2cccc(OC(F)(F)F)c21
InChIInChI=1S/C10H8BrF3N2O/c1-2-16-8-6(9(11)15-16)4-3-5-7(8)17-10(12,13)14/h3-5H,2H2,1H3
InChIKeyOQFMQEHKFAXMAG-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.72
Rot. Bonds2

About 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole

3-bromo-1-ethyl-7-(trifluoromethoxy)indazole (PubChem CID 133054758) has the molecular formula C10H8BrF3N2O and a molecular weight of 309.09 g/mol. Its IUPAC name is 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole.

Molecular Properties

Compound Name3-bromo-1-ethyl-7-(trifluoromethoxy)indazole
PubChem CID133054758
Molecular FormulaC10H8BrF3N2O
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name3-bromo-1-ethyl-7-(trifluoromethoxy)indazole
SMILESCCn1nc(Br)c2cccc(OC(F)(F)F)c21
InChIInChI=1S/C10H8BrF3N2O/c1-2-16-8-6(9(11)15-16)4-3-5-7(8)17-10(12,13)14/h3-5H,2H2,1H3
InChIKeyOQFMQEHKFAXMAG-UHFFFAOYSA-N
XLogP3.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole?
The IUPAC name of 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole (CID 133054758) is 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole.
What is the SMILES notation for 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole?
The canonical SMILES for 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole is CCn1nc(Br)c2cccc(OC(F)(F)F)c21.
What is the InChIKey of 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole?
The InChIKey is OQFMQEHKFAXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O/c1-2-16-8-6(9(11)15-16)4-3-5-7(8)17-10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole?
3-bromo-1-ethyl-7-(trifluoromethoxy)indazole has a molecular weight of 309.09 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-7-(trifluoromethoxy)indazole is sourced from PubChem (CID 133054758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).