7-bromo-2-(2,2,2-trifluoroethyl)indazole

C9H6BrF3N2 — CID 67476895

IUPAC7-bromo-2-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1cc2cccc(Br)c2n1
InChIInChI=1S/C9H6BrF3N2/c10-7-3-1-2-6-4-15(14-8(6)7)5-9(11,12)13/h1-4H,5H2
InChIKeyJOBHGBAKEHUYPW-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.36
Rot. Bonds1

About 7-bromo-2-(2,2,2-trifluoroethyl)indazole

7-bromo-2-(2,2,2-trifluoroethyl)indazole (PubChem CID 67476895) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 7-bromo-2-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name7-bromo-2-(2,2,2-trifluoroethyl)indazole
PubChem CID67476895
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name7-bromo-2-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1cc2cccc(Br)c2n1
InChIInChI=1S/C9H6BrF3N2/c10-7-3-1-2-6-4-15(14-8(6)7)5-9(11,12)13/h1-4H,5H2
InChIKeyJOBHGBAKEHUYPW-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 7-bromo-2-(2,2,2-trifluoroethyl)indazole (CID 67476895) is 7-bromo-2-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 7-bromo-2-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 7-bromo-2-(2,2,2-trifluoroethyl)indazole is FC(F)(F)Cn1cc2cccc(Br)c2n1.
What is the InChIKey of 7-bromo-2-(2,2,2-trifluoroethyl)indazole?
The InChIKey is JOBHGBAKEHUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c10-7-3-1-2-6-4-15(14-8(6)7)5-9(11,12)13/h1-4H,5H2.
What are the key properties of 7-bromo-2-(2,2,2-trifluoroethyl)indazole?
7-bromo-2-(2,2,2-trifluoroethyl)indazole has a molecular weight of 279.06 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 67476895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).