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

C10H9BrF3N3O — CID 118256261

IUPAC6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine
SMILESCC(Oc1cc(Br)cc2[nH]nc(N)c12)C(F)(F)F
InChIInChI=1S/C10H9BrF3N3O/c1-4(10(12,13)14)18-7-3-5(11)2-6-8(7)9(15)17-16-6/h2-4H,1H3,(H3,15,16,17)
InChIKeyQYUQLPVUAVWYHL-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.24
Rot. Bonds2

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

6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine (PubChem CID 118256261) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine
PubChem CID118256261
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine
SMILESCC(Oc1cc(Br)cc2[nH]nc(N)c12)C(F)(F)F
InChIInChI=1S/C10H9BrF3N3O/c1-4(10(12,13)14)18-7-3-5(11)2-6-8(7)9(15)17-16-6/h2-4H,1H3,(H3,15,16,17)
InChIKeyQYUQLPVUAVWYHL-UHFFFAOYSA-N
XLogP3.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The IUPAC name of 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine (CID 118256261) is 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine.
What is the SMILES notation for 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The canonical SMILES for 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine is CC(Oc1cc(Br)cc2[nH]nc(N)c12)C(F)(F)F.
What is the InChIKey of 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
The InChIKey is QYUQLPVUAVWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c1-4(10(12,13)14)18-7-3-5(11)2-6-8(7)9(15)17-16-6/h2-4H,1H3,(H3,15,16,17).
What are the key properties of 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine?
6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine has a molecular weight of 324.10 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine is sourced from PubChem (CID 118256261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).