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

C9H10F3N3O2 — CID 81318914

IUPAC3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESNNC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-2-1-3-8(17)15(6)5-4-7(16)14-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyDLZZOZCYNJBIGF-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.25
Rot. Bonds3

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

3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 81318914) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID81318914
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESNNC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-2-1-3-8(17)15(6)5-4-7(16)14-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyDLZZOZCYNJBIGF-UHFFFAOYSA-N
XLogP0.25
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.25
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

3-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 63578532
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanamide
CID 81318797
2-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81318915
2-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]acetohydrazide
CID 81319043
4-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]butanehydrazide
CID 81319044
6-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
CID 81319175
5-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
CID 81319288
2,2-Dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81319414
3-(5-Fluoro-2-oxo-1-pyridinyl)propanehydrazide
CID 131048463
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1H-pyridazine-3,6-dione
CID 43259732
3-(2-Oxo-1-pyridinyl)propanehydrazide
CID 43346089
3-(3-Methyl-2-oxo-1-pyridinyl)propanehydrazide
CID 63579083

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 81318914) is 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is NNC(=O)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is DLZZOZCYNJBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)6-2-1-3-8(17)15(6)5-4-7(16)14-13/h1-3H,4-5,13H2,(H,14,16).
What are the key properties of 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide has a molecular weight of 249.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 81318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).