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

C12H9F3IN3O — CID 102721282

IUPAC[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Oc2ccccc2I)n1
InChIInChI=1S/C12H9F3IN3O/c13-12(14,15)7-5-10(19-17)18-11(6-7)20-9-4-2-1-3-8(9)16/h1-6H,17H2,(H,18,19)
InChIKeyCVJGHPYDBYWBMK-UHFFFAOYSA-N
MW395.12 g/mol
LogP3.78
Rot. Bonds3

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

[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721282) has the molecular formula C12H9F3IN3O and a molecular weight of 395.12 g/mol. Its IUPAC name is [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721282
Molecular FormulaC12H9F3IN3O
Molecular Weight395.12 g/mol
Exact Mass394.97
IUPAC Name[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(Oc2ccccc2I)n1
InChIInChI=1S/C12H9F3IN3O/c13-12(14,15)7-5-10(19-17)18-11(6-7)20-9-4-2-1-3-8(9)16/h1-6H,17H2,(H,18,19)
InChIKeyCVJGHPYDBYWBMK-UHFFFAOYSA-N
XLogP3.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721282) is [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(Oc2ccccc2I)n1.
What is the InChIKey of [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is CVJGHPYDBYWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3IN3O/c13-12(14,15)7-5-10(19-17)18-11(6-7)20-9-4-2-1-3-8(9)16/h1-6H,17H2,(H,18,19).
What are the key properties of [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 395.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).