6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine

C10H9BrF3N3O — CID 118256157

IUPAC6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(Br)cc(OC(CF)C(F)F)c12
InChIInChI=1S/C10H9BrF3N3O/c11-4-1-5-8(10(15)17-16-5)6(2-4)18-7(3-12)9(13)14/h1-2,7,9H,3H2,(H3,15,16,17)
InChIKeyODIASDIRGLXOFA-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.89
Rot. Bonds4

About 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine

6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine (PubChem CID 118256157) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine
PubChem CID118256157
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(Br)cc(OC(CF)C(F)F)c12
InChIInChI=1S/C10H9BrF3N3O/c11-4-1-5-8(10(15)17-16-5)6(2-4)18-7(3-12)9(13)14/h1-2,7,9H,3H2,(H3,15,16,17)
InChIKeyODIASDIRGLXOFA-UHFFFAOYSA-N
XLogP2.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The IUPAC name of 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine (CID 118256157) is 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine.
What is the SMILES notation for 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The canonical SMILES for 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine is Nc1n[nH]c2cc(Br)cc(OC(CF)C(F)F)c12.
What is the InChIKey of 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The InChIKey is ODIASDIRGLXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c11-4-1-5-8(10(15)17-16-5)6(2-4)18-7(3-12)9(13)14/h1-2,7,9H,3H2,(H3,15,16,17).
What are the key properties of 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine has a molecular weight of 324.10 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine is sourced from PubChem (CID 118256157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).