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

C11H14F3N3O2 — CID 63578537

IUPAC5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
SMILESNNC(=O)CCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-5-10(19)17(7-8)6-2-1-3-9(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18)
InChIKeyKJDJMMWNJNLIAN-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.03
Rot. Bonds5

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

5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide (PubChem CID 63578537) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide.

Molecular Properties

Compound Name5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
PubChem CID63578537
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide
SMILESNNC(=O)CCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-5-10(19)17(7-8)6-2-1-3-9(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18)
InChIKeyKJDJMMWNJNLIAN-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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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The IUPAC name of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide (CID 63578537) is 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide.
What is the SMILES notation for 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The canonical SMILES for 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide is NNC(=O)CCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
The InChIKey is KJDJMMWNJNLIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8-4-5-10(19)17(7-8)6-2-1-3-9(18)16-15/h4-5,7H,1-3,6,15H2,(H,16,18).
What are the key properties of 5-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide?
5-[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]pentanehydrazide is sourced from PubChem (CID 63578537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).