N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide

C8H9F3N2O3 — CID 88900417

IUPACN-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide
SMILESCC(Oc1ncccc1[NH+]([O-])O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-5(8(9,10)11)16-7-6(13(14)15)3-2-4-12-7/h2-5,13-14H,1H3
InChIKeyDJGWDEWGBAQJKG-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.81
Rot. Bonds3

About N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide

N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide (PubChem CID 88900417) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide.

Molecular Properties

Compound NameN-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide
PubChem CID88900417
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC NameN-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide
SMILESCC(Oc1ncccc1[NH+]([O-])O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-5(8(9,10)11)16-7-6(13(14)15)3-2-4-12-7/h2-5,13-14H,1H3
InChIKeyDJGWDEWGBAQJKG-UHFFFAOYSA-N
XLogP0.81
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide?
The IUPAC name of N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide (CID 88900417) is N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide.
What is the SMILES notation for N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide?
The canonical SMILES for N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide is CC(Oc1ncccc1[NH+]([O-])O)C(F)(F)F.
What is the InChIKey of N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide?
The InChIKey is DJGWDEWGBAQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-5(8(9,10)11)16-7-6(13(14)15)3-2-4-12-7/h2-5,13-14H,1H3.
What are the key properties of N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide?
N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide has a molecular weight of 238.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1,1,1-trifluoropropan-2-yloxy)pyridin-3-amine oxide is sourced from PubChem (CID 88900417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).