2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol

C14H11ClF3N3O2 — CID 135676005

IUPAC2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N3O2/c1-23-10-2-3-12(22)8(4-10)6-20-21-13-11(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21)/b20-6+
InChIKeyFPXRRQCRFNHRKX-CGOBSMCZSA-N
MW345.71 g/mol
LogP3.91
Rot. Bonds4

About 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol

2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol (PubChem CID 135676005) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol
PubChem CID135676005
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N3O2/c1-23-10-2-3-12(22)8(4-10)6-20-21-13-11(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21)/b20-6+
InChIKeyFPXRRQCRFNHRKX-CGOBSMCZSA-N
XLogP3.91
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol?
The IUPAC name of 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol (CID 135676005) is 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol?
The InChIKey is FPXRRQCRFNHRKX-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-23-10-2-3-12(22)8(4-10)6-20-21-13-11(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21)/b20-6+.
What are the key properties of 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol?
2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol has a molecular weight of 345.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol is sourced from PubChem (CID 135676005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).