[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C12H9F4N3O — CID 102721265

IUPAC[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19)
InChIKeyQHTBOVCOYMSIJQ-UHFFFAOYSA-N
MW287.22 g/mol
LogP3.32
Rot. Bonds3

About [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721265) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721265
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19)
InChIKeyQHTBOVCOYMSIJQ-UHFFFAOYSA-N
XLogP3.32
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721265) is [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(Oc2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is QHTBOVCOYMSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)20-11-6-7(12(14,15)16)5-10(18-11)19-17/h1-6H,17H2,(H,18,19).
What are the key properties of [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 287.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).