2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide

C11H14F3N3O2 — CID 81319414

IUPAC2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)NN
InChIInChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-7(11(12,13)14)4-3-5-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyHNTIORBTSMSWBF-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.88
Rot. Bonds3

About 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide

2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 81319414) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID81319414
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)NN
InChIInChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-7(11(12,13)14)4-3-5-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyHNTIORBTSMSWBF-UHFFFAOYSA-N
XLogP0.88
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 81319414) is 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is CC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is HNTIORBTSMSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-7(11(12,13)14)4-3-5-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide has a molecular weight of 277.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 81319414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).