[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C11H16F3N3O — CID 102721220

IUPAC[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCC(C)CCOc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)3-4-18-10-6-8(11(12,13)14)5-9(16-10)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyBOXDBQBDAIQZPO-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.81
Rot. Bonds5

About [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721220) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721220
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCC(C)CCOc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)3-4-18-10-6-8(11(12,13)14)5-9(16-10)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyBOXDBQBDAIQZPO-UHFFFAOYSA-N
XLogP2.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.81
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-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721220) is [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is CC(C)CCOc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is BOXDBQBDAIQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)3-4-18-10-6-8(11(12,13)14)5-9(16-10)17-15/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 263.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).