4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide

C10H12F3N3O2 — CID 63578371

IUPAC4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide
SMILESNNC(=O)CCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-3-4-9(18)16(6-7)5-1-2-8(17)15-14/h3-4,6H,1-2,5,14H2,(H,15,17)
InChIKeyFTZFZSDGQXFRTI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.64
Rot. Bonds4

About 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide

4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide (PubChem CID 63578371) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide.

Molecular Properties

Compound Name4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide
PubChem CID63578371
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide
SMILESNNC(=O)CCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-3-4-9(18)16(6-7)5-1-2-8(17)15-14/h3-4,6H,1-2,5,14H2,(H,15,17)
InChIKeyFTZFZSDGQXFRTI-UHFFFAOYSA-N
XLogP0.64
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide?
The IUPAC name of 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide (CID 63578371) is 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide.
What is the SMILES notation for 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide?
The canonical SMILES for 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide is NNC(=O)CCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide?
The InChIKey is FTZFZSDGQXFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-3-4-9(18)16(6-7)5-1-2-8(17)15-14/h3-4,6H,1-2,5,14H2,(H,15,17).
What are the key properties of 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide?
4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide has a molecular weight of 263.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanehydrazide is sourced from PubChem (CID 63578371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).