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

C9H10F3N3O2 — CID 63578532

IUPAC3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESNNC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-1-2-8(17)15(5-6)4-3-7(16)14-13/h1-2,5H,3-4,13H2,(H,14,16)
InChIKeyNNFXJRIAHLILQE-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.25
Rot. Bonds3

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

3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (PubChem CID 63578532) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.

Molecular Properties

Compound Name3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
PubChem CID63578532
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
SMILESNNC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)6-1-2-8(17)15(5-6)4-3-7(16)14-13/h1-2,5H,3-4,13H2,(H,14,16)
InChIKeyNNFXJRIAHLILQE-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

2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetohydrazide
CID 1534522
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
(2-Oxo-3-trifluoromethyl-2h-pyridin-1-yl)-acetic acid hydrazide
CID 67549254
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]acetamide
CID 121371061
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
CID 129034494
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
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 63578533
5-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
CID 63578537
6-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
CID 64295216
2,2-Dimethyl-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 79631271

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The IUPAC name of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide (CID 63578532) is 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide.
What is the SMILES notation for 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The canonical SMILES for 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is NNC(=O)CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
The InChIKey is NNFXJRIAHLILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)6-1-2-8(17)15(5-6)4-3-7(16)14-13/h1-2,5H,3-4,13H2,(H,14,16).
What are the key properties of 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide?
3-[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]propanehydrazide is sourced from PubChem (CID 63578532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).