[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine

C9H7ClF3N3O — CID 18689516

IUPAC[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESC#CCOc1nc(NN)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3N3O/c1-2-3-17-8-6(10)4-5(9(11,12)13)7(15-8)16-14/h1,4H,3,14H2,(H,15,16)
InChIKeyGLTAEARTKUYDLP-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.05
Rot. Bonds3

About [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine

[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 18689516) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID18689516
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESC#CCOc1nc(NN)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3N3O/c1-2-3-17-8-6(10)4-5(9(11,12)13)7(15-8)16-14/h1,4H,3,14H2,(H,15,16)
InChIKeyGLTAEARTKUYDLP-UHFFFAOYSA-N
XLogP2.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.05
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 18689516) is [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine is C#CCOc1nc(NN)c(C(F)(F)F)cc1Cl.
What is the InChIKey of [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is GLTAEARTKUYDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c1-2-3-17-8-6(10)4-5(9(11,12)13)7(15-8)16-14/h1,4H,3,14H2,(H,15,16).
What are the key properties of [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
[5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 265.62 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-prop-2-ynoxy-3-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 18689516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).