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

C9H10F3N3O2 — CID 81318915

IUPAC2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C(=O)NN)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-6(9(10,11)12)3-2-4-7(15)16/h2-5H,13H2,1H3,(H,14,17)
InChIKeyUZFSEKLTLVWTHN-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.42
Rot. Bonds2

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

2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 81318915) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID81318915
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C(=O)NN)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-6(9(10,11)12)3-2-4-7(15)16/h2-5H,13H2,1H3,(H,14,17)
InChIKeyUZFSEKLTLVWTHN-UHFFFAOYSA-N
XLogP0.42
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.42
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-Oxo-3-trifluoromethyl-2h-pyridin-1-yl)-acetic acid hydrazide
CID 67549254
2-(5-amino-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62814436
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62815495
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62816171
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 63578533
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81318914
2-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 81319043
4-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]butanehydrazide
CID 81319044
2-(5-Fluoro-2-oxo-1-pyridinyl)acetohydrazide
CID 84313519
N'-acetyl-2-(5-fluoro-2-oxo-1-pyridinyl)acetohydrazide
CID 84313595
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-2-carboxamide
CID 107261765
N-[2-(dimethylamino)-2-oxoethyl]-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-2-carboxamide
CID 108109561

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 81318915) is 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is CC(C(=O)NN)n1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is UZFSEKLTLVWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-6(9(10,11)12)3-2-4-7(15)16/h2-5H,13H2,1H3,(H,14,17).
What are the key properties of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide has a molecular weight of 249.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 81318915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).