2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide

C11H14F3N3O2 — CID 79631271

IUPAC2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NN
InChIInChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-5-7(11(12,13)14)3-4-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyMJCUEJPFXYWSPE-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.88
Rot. Bonds3

About 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide

2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 79631271) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID79631271
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NN
InChIInChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-5-7(11(12,13)14)3-4-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19)
InChIKeyMJCUEJPFXYWSPE-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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Related Compounds

2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide
CID 1534522
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
5-Ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 176154196
N',N'-dimethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 9163802
4-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide
CID 63578371
3-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 63578532
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 63578533
5-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
CID 63578537
2,2-Dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81319414
N'-acetyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 84313468
3-(4-Methyl-2-oxo-1-pyridinyl)propanehydrazide
CID 63582413
2,2-Dimethyl-3-(2-oxo-1-pyridinyl)propanehydrazide
CID 79631172

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 79631271) is 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is CC(C)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is MJCUEJPFXYWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-10(2,9(19)16-15)6-17-5-7(11(12,13)14)3-4-8(17)18/h3-5H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 2,2-dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
2,2-dimethyl-3-[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 79631271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).