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

C9H10F3N3O2 — CID 63578533

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C(=O)NN)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-4-6(9(10,11)12)2-3-7(15)16/h2-5H,13H2,1H3,(H,14,17)
InChIKeyRTSYFVDOCIZZCB-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.42
Rot. Bonds2

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 63578533) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID63578533
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESCC(C(=O)NN)n1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-4-6(9(10,11)12)2-3-7(15)16/h2-5H,13H2,1H3,(H,14,17)
InChIKeyRTSYFVDOCIZZCB-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-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide
CID 1534522
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
(2-Oxo-3-trifluoromethyl-2h-pyridin-1-yl)-acetic acid hydrazide
CID 67549254
2-[2-Oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
CID 178641118
1-acetyl-2H-pyridine-2-carbohydrazide
CID 57370585
2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide
CID 7131166
N-tert-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633459
(2R)-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylpropanamide
CID 8215900
(2S)-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylpropanamide
CID 8215901
2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propan-2-ylacetamide
CID 8215908
N'-acetyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 8410178
N',N'-dimethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 9163802

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 63578533) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is CC(C(=O)NN)n1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is RTSYFVDOCIZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5(8(17)14-13)15-4-6(9(10,11)12)2-3-7(15)16/h2-5H,13H2,1H3,(H,14,17).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
2-[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 63578533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).