2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide

C8H8F3N3O2 — CID 67549254

IUPAC2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESNNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-2-1-3-14(7(5)16)4-6(15)13-12/h1-3H,4,12H2,(H,13,15)
InChIKeyOPSGENSRZUEKMX-UHFFFAOYSA-N
MW235.16 g/mol
LogP-0.14
Rot. Bonds2

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

2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide (PubChem CID 67549254) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
PubChem CID67549254
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESNNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)5-2-1-3-14(7(5)16)4-6(15)13-12/h1-3H,4,12H2,(H,13,15)
InChIKeyOPSGENSRZUEKMX-UHFFFAOYSA-N
XLogP-0.14
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 5-0.14
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 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide (CID 67549254) is 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide is NNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The InChIKey is OPSGENSRZUEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)5-2-1-3-14(7(5)16)4-6(15)13-12/h1-3H,4,12H2,(H,13,15).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide has a molecular weight of 235.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 67549254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).