2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

C16H12ClF4N3O3S — CID 24641274

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C16H12ClF4N3O3S/c17-10-5-9(16(19,20)21)6-24(15(10)27)7-13(25)22-23-14(26)8-28-12-4-2-1-3-11(12)18/h1-6H,7-8H2,(H,22,25)(H,23,26)
InChIKeyAVIQMMLBBPIUKW-UHFFFAOYSA-N
MW437.80 g/mol
LogP2.60
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (PubChem CID 24641274) has the molecular formula C16H12ClF4N3O3S and a molecular weight of 437.80 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
PubChem CID24641274
Molecular FormulaC16H12ClF4N3O3S
Molecular Weight437.80 g/mol
Exact Mass437.02
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C16H12ClF4N3O3S/c17-10-5-9(16(19,20)21)6-24(15(10)27)7-13(25)22-23-14(26)8-28-12-4-2-1-3-11(12)18/h1-6H,7-8H2,(H,22,25)(H,23,26)
InChIKeyAVIQMMLBBPIUKW-UHFFFAOYSA-N
XLogP2.60
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide (CID 24641274) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is O=C(CSc1ccccc1F)NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
The InChIKey is AVIQMMLBBPIUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4N3O3S/c17-10-5-9(16(19,20)21)6-24(15(10)27)7-13(25)22-23-14(26)8-28-12-4-2-1-3-11(12)18/h1-6H,7-8H2,(H,22,25)(H,23,26).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide has a molecular weight of 437.80 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide is sourced from PubChem (CID 24641274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).