[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H12F3N3OS — CID 102721306

IUPAC[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCSc1ccccc1Oc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H12F3N3OS/c1-21-10-5-3-2-4-9(10)20-12-7-8(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeySDNDCTOCPHMGHQ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.90
Rot. Bonds4

About [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721306) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721306
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCSc1ccccc1Oc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C13H12F3N3OS/c1-21-10-5-3-2-4-9(10)20-12-7-8(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeySDNDCTOCPHMGHQ-UHFFFAOYSA-N
XLogP3.90
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydrazino-6-(4-trifluoromethylphenoxy)pyridine
CID 18544786
6-(2-Methylhydrazinyl)-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-2,5-diamine
CID 135266836
3-Hydrazinyl-4-[[2-(trifluoromethoxy)phenyl]methylsulfanyl]pyridine-2,6-diamine
CID 135266852
[6-(4-Fluorophenoxy)-2-pyridinyl]hydrazine
CID 80915065
[6-(2-Fluorophenoxy)-2-pyridinyl]hydrazine
CID 80915582
[6-[3-(Trifluoromethyl)phenoxy]-2-pyridinyl]hydrazine
CID 80916206
[6-(3-Fluorophenoxy)-2-pyridinyl]hydrazine
CID 80916966
[6-[2-(Trifluoromethyl)phenoxy]-2-pyridinyl]hydrazine
CID 80917527
[6-(2,4-Difluorophenoxy)-2-pyridinyl]hydrazine
CID 80917605
[6-(3,4-Difluorophenoxy)-2-pyridinyl]hydrazine
CID 80920400
[6-(2-Fluoro-5-methylphenoxy)-2-pyridinyl]hydrazine
CID 80922399
[6-(2,5-Difluorophenoxy)-2-pyridinyl]hydrazine
CID 80924905

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721306) is [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is CSc1ccccc1Oc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is SDNDCTOCPHMGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-21-10-5-3-2-4-9(10)20-12-7-8(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 315.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).