potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide

C7F9KN2O2S — CID 155632473

IUPACpotassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide
SMILESO=S(=O)([N-]c1c(F)c(F)nc(C(F)(F)F)c1F)C(F)(F)F.[K+]
InChIInChI=1S/C7F9N2O2S.K/c8-1-3(18-21(19,20)7(14,15)16)2(9)5(10)17-4(1)6(11,12)13;/q-1;+1
InChIKeyUDBZJUDTSUUOKD-UHFFFAOYSA-N
MW386.24 g/mol
LogP0.38
Rot. Bonds2

About potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide

potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide (PubChem CID 155632473) has the molecular formula C7F9KN2O2S and a molecular weight of 386.24 g/mol. Its IUPAC name is potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide.

Molecular Properties

Compound Namepotassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide
PubChem CID155632473
Molecular FormulaC7F9KN2O2S
Molecular Weight386.24 g/mol
Exact Mass385.92
IUPAC Namepotassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide
SMILESO=S(=O)([N-]c1c(F)c(F)nc(C(F)(F)F)c1F)C(F)(F)F.[K+]
InChIInChI=1S/C7F9N2O2S.K/c8-1-3(18-21(19,20)7(14,15)16)2(9)5(10)17-4(1)6(11,12)13;/q-1;+1
InChIKeyUDBZJUDTSUUOKD-UHFFFAOYSA-N
XLogP0.38
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(2Z)-2-[cyano-[3,5-difluoro-2,6-bis(trifluoromethyl)-4-pyridinyl]methylidene]-3-[cyano-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]cyclopropylidene]-2-[3,5-difluoro-2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 168854519
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
CID 15395099
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium
CID 162364627
tetrasilver;tetrakis(bis(trifluoromethylsulfonyl)azanide);phthalazine
CID 139197012
(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide
CID 59998590
fluoro(trifluoromethylsulfonyl)azanide
CID 154510873
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
2-[2-[cyano-(2,3,5-trifluoro-6-methyl-4-pyridinyl)methylidene]-3-[cyano-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]cyclopropylidene]-2-[3,5-difluoro-2-methyl-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 174091113
(Z)-3-[2,3-difluoro-5-phosphanyl-6-(trifluoromethyl)-4-pyridinyl]-4-methylperoxypent-3-en-2-one
CID 167219804
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CID 3057449

Frequently Asked Questions

What is the IUPAC name of potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide?
The IUPAC name of potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide (CID 155632473) is potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide.
What is the SMILES notation for potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide?
The canonical SMILES for potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide is O=S(=O)([N-]c1c(F)c(F)nc(C(F)(F)F)c1F)C(F)(F)F.[K+].
What is the InChIKey of potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide?
The InChIKey is UDBZJUDTSUUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F9N2O2S.K/c8-1-3(18-21(19,20)7(14,15)16)2(9)5(10)17-4(1)6(11,12)13;/q-1;+1.
What are the key properties of potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide?
potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide has a molecular weight of 386.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoromethylsulfonyl-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]azanide is sourced from PubChem (CID 155632473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).