6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide

C11H14F3N3O2 — CID 106908961

IUPAC6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COCCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-2-6-19-7-8-3-1-4-9(16-8)10(18)17-15/h1,3-4H,2,5-7,15H2,(H,17,18)
InChIKeyVVKSUJJWYVSTLA-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.54
Rot. Bonds6

About 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide

6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide (PubChem CID 106908961) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
PubChem CID106908961
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COCCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-2-6-19-7-8-3-1-4-9(16-8)10(18)17-15/h1,3-4H,2,5-7,15H2,(H,17,18)
InChIKeyVVKSUJJWYVSTLA-UHFFFAOYSA-N
XLogP1.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide?
The IUPAC name of 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide (CID 106908961) is 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide is NNC(=O)c1cccc(COCCCC(F)(F)F)n1.
What is the InChIKey of 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide?
The InChIKey is VVKSUJJWYVSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)5-2-6-19-7-8-3-1-4-9(16-8)10(18)17-15/h1,3-4H,2,5-7,15H2,(H,17,18).
What are the key properties of 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide?
6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide has a molecular weight of 277.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluorobutoxymethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 106908961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).