6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine

C10H9BrF3N3O — CID 118256181

IUPAC6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine
SMILESC[C@H](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)/t4-/m0/s1
InChIKeyQYUQLPVUAVWYHL-BYPYZUCNSA-N
MW324.10 g/mol
LogP3.24
Rot. Bonds2

About 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine

6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine (PubChem CID 118256181) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine.

Molecular Properties

Compound Name6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine
PubChem CID118256181
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine
SMILESC[C@H](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)/t4-/m0/s1
InChIKeyQYUQLPVUAVWYHL-BYPYZUCNSA-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

Analyze 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine with MolForge

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Related Compounds

4-(1-ethoxypropan-2-yloxy)-1H-indazol-3-amine
CID 49830788
4-Methoxy-1H-indazol-3-amine
CID 18526053
6-bromo-4-methoxy-1H-indazole
CID 24728111
5-Fluoro-4-methoxy-1H-indazol-3-amine
CID 58054568
6-Fluoro-4-methoxy-1H-indazol-3-amine
CID 58054571
4-(4-Fluorophenoxy)-1h-indazol-3-amine
CID 69940110
4-(trifluoromethoxy)-1H-indazol-3-amine
CID 75530475
4-(2,2,2-trifluoroethoxy)-2H-indazol-3-amine
CID 118046747
6-bromo-4-(1,1,3-trifluoropropan-2-yloxy)-1H-indazol-3-amine
CID 118256157
6-bromo-4-(1,1,1-trifluoropropan-2-yloxy)-1H-indazol-3-amine
CID 118256261
6-bromo-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine
CID 118256280
4-Fluoro-6-methoxy-1H-indazol-3-amine
CID 123535913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine?
The IUPAC name of 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine (CID 118256181) is 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine.
What is the SMILES notation for 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine?
The canonical SMILES for 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine is C[C@H](Oc1cc(Br)cc2[nH]nc(N)c12)C(F)(F)F.
What is the InChIKey of 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine?
The InChIKey is QYUQLPVUAVWYHL-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of 6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine?
6-bromo-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-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-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1H-indazol-3-amine is sourced from PubChem (CID 118256181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).