7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine

C9H6BrClF3N3 — CID 134262960

IUPAC7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
SMILESNc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H6BrClF3N3/c10-4-1-2-5(11)6-7(4)17(16-8(6)15)3-9(12,13)14/h1-2H,3H2,(H2,15,16)
InChIKeyWSUZWTPRZQLWHI-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.60
Rot. Bonds1

About 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine

7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine (PubChem CID 134262960) has the molecular formula C9H6BrClF3N3 and a molecular weight of 328.52 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
PubChem CID134262960
Molecular FormulaC9H6BrClF3N3
Molecular Weight328.52 g/mol
Exact Mass326.94
IUPAC Name7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
SMILESNc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H6BrClF3N3/c10-4-1-2-5(11)6-7(4)17(16-8(6)15)3-9(12,13)14/h1-2H,3H2,(H2,15,16)
InChIKeyWSUZWTPRZQLWHI-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The IUPAC name of 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine (CID 134262960) is 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine.
What is the SMILES notation for 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The canonical SMILES for 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine is Nc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
The InChIKey is WSUZWTPRZQLWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3N3/c10-4-1-2-5(11)6-7(4)17(16-8(6)15)3-9(12,13)14/h1-2H,3H2,(H2,15,16).
What are the key properties of 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine?
7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine has a molecular weight of 328.52 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine is sourced from PubChem (CID 134262960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).