4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol

C13H10F3N3O — CID 135459062

IUPAC4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)10-3-6-12(17-8-10)19-18-7-9-1-4-11(20)5-2-9/h1-8,20H,(H,17,19)/b18-7+
InChIKeyPGZCKYYDSQEZCL-CNHKJKLMSA-N
MW281.24 g/mol
LogP3.25
Rot. Bonds3

About 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol

4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol (PubChem CID 135459062) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
PubChem CID135459062
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)10-3-6-12(17-8-10)19-18-7-9-1-4-11(20)5-2-9/h1-8,20H,(H,17,19)/b18-7+
InChIKeyPGZCKYYDSQEZCL-CNHKJKLMSA-N
XLogP3.25
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol (CID 135459062) is 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The InChIKey is PGZCKYYDSQEZCL-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)10-3-6-12(17-8-10)19-18-7-9-1-4-11(20)5-2-9/h1-8,20H,(H,17,19)/b18-7+.
What are the key properties of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol has a molecular weight of 281.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135459062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).