potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate

C15H10F3KN2O4S — CID 72703945

IUPACpotassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
SMILESO=C(CSc1ncccc1C(=O)[O-])Nc1cccc(OC(F)(F)F)c1.[K+]
InChIInChI=1S/C15H11F3N2O4S.K/c16-15(17,18)24-10-4-1-3-9(7-10)20-12(21)8-25-13-11(14(22)23)5-2-6-19-13;/h1-7H,8H2,(H,20,21)(H,22,23);/q;+1/p-1
InChIKeyMYPFMFCPOACXLV-UHFFFAOYSA-M
MW410.41 g/mol
LogP-0.92
Rot. Bonds6

About potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate

potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate (PubChem CID 72703945) has the molecular formula C15H10F3KN2O4S and a molecular weight of 410.41 g/mol. Its IUPAC name is potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
PubChem CID72703945
Molecular FormulaC15H10F3KN2O4S
Molecular Weight410.41 g/mol
Exact Mass410.00
IUPAC Namepotassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
SMILESO=C(CSc1ncccc1C(=O)[O-])Nc1cccc(OC(F)(F)F)c1.[K+]
InChIInChI=1S/C15H11F3N2O4S.K/c16-15(17,18)24-10-4-1-3-9(7-10)20-12(21)8-25-13-11(14(22)23)5-2-6-19-13;/h1-7H,8H2,(H,20,21)(H,22,23);/q;+1/p-1
InChIKeyMYPFMFCPOACXLV-UHFFFAOYSA-M
XLogP-0.92
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854
potassium 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 72703544
2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4249570
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38206399
2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 859319
ethyl 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4284635
2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118249997
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
propan-2-yl 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4284633
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The IUPAC name of potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate (CID 72703945) is potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate.
What is the SMILES notation for potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The canonical SMILES for potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate is O=C(CSc1ncccc1C(=O)[O-])Nc1cccc(OC(F)(F)F)c1.[K+].
What is the InChIKey of potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The InChIKey is MYPFMFCPOACXLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11F3N2O4S.K/c16-15(17,18)24-10-4-1-3-9(7-10)20-12(21)8-25-13-11(14(22)23)5-2-6-19-13;/h1-7H,8H2,(H,20,21)(H,22,23);/q;+1/p-1.
What are the key properties of potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate has a molecular weight of 410.41 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 72703945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).