5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine

C8H5BrF3N3 — CID 122603922

IUPAC5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(C(F)(F)F)cc(Br)cc12
InChIInChI=1S/C8H5BrF3N3/c9-3-1-4-6(14-15-7(4)13)5(2-3)8(10,11)12/h1-2H,(H3,13,14,15)
InChIKeyYPNRAROMHZIEAA-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.93
Rot. Bonds

About 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine

5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine (PubChem CID 122603922) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
PubChem CID122603922
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(C(F)(F)F)cc(Br)cc12
InChIInChI=1S/C8H5BrF3N3/c9-3-1-4-6(14-15-7(4)13)5(2-3)8(10,11)12/h1-2H,(H3,13,14,15)
InChIKeyYPNRAROMHZIEAA-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine?
The IUPAC name of 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine (CID 122603922) is 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine?
The canonical SMILES for 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine is Nc1n[nH]c2c(C(F)(F)F)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine?
The InChIKey is YPNRAROMHZIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c9-3-1-4-6(14-15-7(4)13)5(2-3)8(10,11)12/h1-2H,(H3,13,14,15).
What are the key properties of 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine?
5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine has a molecular weight of 280.05 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(trifluoromethyl)-1H-indazol-3-amine is sourced from PubChem (CID 122603922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).