2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol

C15H14F3N3O3 — CID 135519893

IUPAC2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1O
InChIInChI=1S/C15H14F3N3O3/c1-23-11-5-9(6-12(24-2)14(11)22)7-20-21-13-4-3-10(8-19-13)15(16,17)18/h3-8,22H,1-2H3,(H,19,21)/b20-7+
InChIKeyHSZKTDQSQSWPCV-IFRROFPPSA-N
MW341.29 g/mol
LogP3.27
Rot. Bonds5

About 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol

2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol (PubChem CID 135519893) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
PubChem CID135519893
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1O
InChIInChI=1S/C15H14F3N3O3/c1-23-11-5-9(6-12(24-2)14(11)22)7-20-21-13-4-3-10(8-19-13)15(16,17)18/h3-8,22H,1-2H3,(H,19,21)/b20-7+
InChIKeyHSZKTDQSQSWPCV-IFRROFPPSA-N
XLogP3.27
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

K02288
CID 46173038
2,4-Dihydroxybenzaldehyde [5-(trifluoromethyl)pyridin-2-yl]hydrazone
CID 135457735
3,4-Dimethoxybenzaldehyde 2-pyridinylhydrazone
CID 9566754
4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135519914
2,4-Dimethoxybenzaldehyde 2-pyridinylhydrazone
CID 5724077
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
CID 9627014
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 9676245
N-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
CID 9684264
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]pyridin-2-amine
CID 9684266
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 9684267
4-Hydroxy-3,5-dimethoxybenzaldehyde pyridin-2-ylhydrazone
CID 135470845
2,6-dimethoxy-4-{(E)-[2-(5-nitropyridin-2-yl)hydrazinylidene]methyl}phenol
CID 135642811

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol (CID 135519893) is 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
The InChIKey is HSZKTDQSQSWPCV-IFRROFPPSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-23-11-5-9(6-12(24-2)14(11)22)7-20-21-13-4-3-10(8-19-13)15(16,17)18/h3-8,22H,1-2H3,(H,19,21)/b20-7+.
What are the key properties of 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol?
2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol has a molecular weight of 341.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135519893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).