4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol

C13H10F3N3O2 — CID 135519914

IUPAC4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1O
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)9-2-4-12(17-7-9)19-18-6-8-1-3-10(20)11(21)5-8/h1-7,20-21H,(H,17,19)/b18-6+
InChIKeyYZBWBTQCFVSRHZ-NGYBGAFCSA-N
MW297.24 g/mol
LogP2.96
Rot. Bonds3

About 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol

4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135519914) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135519914
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1O
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)9-2-4-12(17-7-9)19-18-6-8-1-3-10(20)11(21)5-8/h1-7,20-21H,(H,17,19)/b18-6+
InChIKeyYZBWBTQCFVSRHZ-NGYBGAFCSA-N
XLogP2.96
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol (CID 135519914) is 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1O.
What is the InChIKey of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is YZBWBTQCFVSRHZ-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)9-2-4-12(17-7-9)19-18-6-8-1-3-10(20)11(21)5-8/h1-7,20-21H,(H,17,19)/b18-6+.
What are the key properties of 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 297.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135519914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).