[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine

C13H11ClF3N3O — CID 62885270

IUPAC[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3O/c14-10-4-5-12(20-18)19-11(10)7-21-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7,18H2,(H,19,20)
InChIKeyYTVQHJGUWLZYBS-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.62
Rot. Bonds4

About [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine (PubChem CID 62885270) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine
PubChem CID62885270
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3O/c14-10-4-5-12(20-18)19-11(10)7-21-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7,18H2,(H,19,20)
InChIKeyYTVQHJGUWLZYBS-UHFFFAOYSA-N
XLogP3.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.62
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 [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine (CID 62885270) is [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine?
The InChIKey is YTVQHJGUWLZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-10-4-5-12(20-18)19-11(10)7-21-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine has a molecular weight of 317.70 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62885270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).