O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine

C6H5F3N2O — CID 75176185

IUPACO-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
SMILESNOc1ncccc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2
InChIKeyRXCXVGISMKFRDP-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.35
Rot. Bonds1

About O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine

O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine (PubChem CID 75176185) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
PubChem CID75176185
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC NameO-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
SMILESNOc1ncccc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2
InChIKeyRXCXVGISMKFRDP-UHFFFAOYSA-N
XLogP1.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
CID 64573971
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62304327
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
6-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 166104439
[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 103568205

Frequently Asked Questions

What is the IUPAC name of O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine?
The IUPAC name of O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine (CID 75176185) is O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine.
What is the SMILES notation for O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine?
The canonical SMILES for O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine is NOc1ncccc1C(F)(F)F.
What is the InChIKey of O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine?
The InChIKey is RXCXVGISMKFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2.
What are the key properties of O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine?
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine has a molecular weight of 178.11 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine is sourced from PubChem (CID 75176185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).