[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine

C10H13ClF3N3O — CID 82792045

IUPAC[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCCCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c11-7-2-3-9(17-15)16-8(7)6-18-5-1-4-10(12,13)14/h2-3H,1,4-6,15H2,(H,16,17)
InChIKeyOFQYBXXLIXDKJX-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.88
Rot. Bonds6

About [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine

[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine (PubChem CID 82792045) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine
PubChem CID82792045
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COCCCC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c11-7-2-3-9(17-15)16-8(7)6-18-5-1-4-10(12,13)14/h2-3H,1,4-6,15H2,(H,16,17)
InChIKeyOFQYBXXLIXDKJX-UHFFFAOYSA-N
XLogP2.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.88
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-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine (CID 82792045) is [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COCCCC(F)(F)F)n1.
What is the InChIKey of [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine?
The InChIKey is OFQYBXXLIXDKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c11-7-2-3-9(17-15)16-8(7)6-18-5-1-4-10(12,13)14/h2-3H,1,4-6,15H2,(H,16,17).
What are the key properties of [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine?
[5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine has a molecular weight of 283.68 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4,4,4-trifluorobutoxymethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 82792045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).