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

C14H11ClF3N3O2 — CID 4850499

IUPAC4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)ccc1O
InChIInChI=1S/C14H11ClF3N3O2/c1-23-12-4-8(2-3-11(12)22)6-20-21-13-10(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21)
InChIKeyGTKXROMUMXMUHB-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.91
Rot. Bonds4

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

4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 4850499) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID4850499
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)ccc1O
InChIInChI=1S/C14H11ClF3N3O2/c1-23-12-4-8(2-3-11(12)22)6-20-21-13-10(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21)
InChIKeyGTKXROMUMXMUHB-UHFFFAOYSA-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_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-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol (CID 4850499) is 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)ccc1O.
What is the InChIKey of 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is GTKXROMUMXMUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-23-12-4-8(2-3-11(12)22)6-20-21-13-10(15)5-9(7-19-13)14(16,17)18/h2-7,22H,1H3,(H,19,21).
What are the key properties of 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol?
4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-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 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 4850499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).