5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide

C11H14F3N3O2 — CID 81319288

IUPAC5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
SMILESNNC(=O)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-3-6-10(19)17(8)7-2-1-5-9(18)16-15/h3-4,6H,1-2,5,7,15H2,(H,16,18)
InChIKeyLLXCSSSJAVBWDB-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.03
Rot. Bonds5

About 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide

5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide (PubChem CID 81319288) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide.

Molecular Properties

Compound Name5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
PubChem CID81319288
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
SMILESNNC(=O)CCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-3-6-10(19)17(8)7-2-1-5-9(18)16-15/h3-4,6H,1-2,5,7,15H2,(H,16,18)
InChIKeyLLXCSSSJAVBWDB-UHFFFAOYSA-N
XLogP1.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
CID 63578537
3-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]propanehydrazide
CID 81318914
4-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]butanehydrazide
CID 81319044
6-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]hexanehydrazide
CID 81319175
6-(2-Methylidene-5-oxopyrrol-1-yl)hexanehydrazide
CID 122551435
5-(2-Oxo-1-pyridinyl)pentanehydrazide
CID 63572613
5-(2-Methyl-6-oxo-1-pyridinyl)pentanehydrazide
CID 63577254
5-(3-Methyl-2-oxo-1-pyridinyl)pentanehydrazide
CID 63579418
4-(2-Methyl-6-oxo-1-pyridinyl)butanehydrazide
CID 63579589
6-(2-Methyl-6-oxo-1-pyridinyl)hexanehydrazide
CID 64294075

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The IUPAC name of 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide (CID 81319288) is 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide.
What is the SMILES notation for 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The canonical SMILES for 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide is NNC(=O)CCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The InChIKey is LLXCSSSJAVBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-3-6-10(19)17(8)7-2-1-5-9(18)16-15/h3-4,6H,1-2,5,7,15H2,(H,16,18).
What are the key properties of 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide has a molecular weight of 277.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]pentanehydrazide is sourced from PubChem (CID 81319288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).