[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H12F3N3O — CID 102721263

IUPAC[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1cccc(Oc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12F3N3O/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIRMWZBCQVYDQEK-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.49
Rot. Bonds3

About [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721263) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721263
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1cccc(Oc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12F3N3O/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIRMWZBCQVYDQEK-UHFFFAOYSA-N
XLogP3.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[6-(4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721247
[6-(2,5-dimethylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721260
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721265
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721282
[6-(2-methylsulfanylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721306
[6-(3-methylphenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721407
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721263) is [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is Cc1cccc(Oc2cc(C(F)(F)F)cc(NN)n2)c1.
What is the InChIKey of [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is IRMWZBCQVYDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-3-2-4-10(5-8)20-12-7-9(13(14,15)16)6-11(18-12)19-17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 283.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).