[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine

C9H11ClF3N3O — CID 82957126

IUPAC[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCCC(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c10-6-1-2-8(16-14)15-7(6)5-17-4-3-9(11,12)13/h1-2H,3-5,14H2,(H,15,16)
InChIKeyFIQVOGLNKUPGOM-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.49
Rot. Bonds5

About [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine

[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine (PubChem CID 82957126) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine
PubChem CID82957126
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCCC(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c10-6-1-2-8(16-14)15-7(6)5-17-4-3-9(11,12)13/h1-2H,3-5,14H2,(H,15,16)
InChIKeyFIQVOGLNKUPGOM-UHFFFAOYSA-N
XLogP2.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine (CID 82957126) is [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COCCC(F)(F)F)n1.
What is the InChIKey of [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine?
The InChIKey is FIQVOGLNKUPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c10-6-1-2-8(16-14)15-7(6)5-17-4-3-9(11,12)13/h1-2H,3-5,14H2,(H,15,16).
What are the key properties of [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine?
[5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine has a molecular weight of 269.65 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 82957126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).