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

C13H11ClF3N3O — CID 102721301

IUPAC[6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1ccc(Oc2cc(C(F)(F)F)cc(NN)n2)c(Cl)c1
InChIInChI=1S/C13H11ClF3N3O/c1-7-2-3-10(9(14)4-7)21-12-6-8(13(15,16)17)5-11(19-12)20-18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyWONXVRYSYPQNCL-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.14
Rot. Bonds3

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

[6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102721301) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102721301
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name[6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCc1ccc(Oc2cc(C(F)(F)F)cc(NN)n2)c(Cl)c1
InChIInChI=1S/C13H11ClF3N3O/c1-7-2-3-10(9(14)4-7)21-12-6-8(13(15,16)17)5-11(19-12)20-18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyWONXVRYSYPQNCL-UHFFFAOYSA-N
XLogP4.14
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102721301) is [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is Cc1ccc(Oc2cc(C(F)(F)F)cc(NN)n2)c(Cl)c1.
What is the InChIKey of [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is WONXVRYSYPQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-7-2-3-10(9(14)4-7)21-12-6-8(13(15,16)17)5-11(19-12)20-18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 317.70 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102721301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).