bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium

C7H6F6N2O4S2 — CID 87457756

IUPACbis(trifluoromethylsulfonyl)azanide;pyridin-1-ium
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C2F6NO4S2/c1-2-4-6-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;/q;-1/p+1
InChIKeyFAEDTLRWFVACQR-UHFFFAOYSA-O
MW360.26 g/mol
LogP1.56
Rot. Bonds2

About bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium

bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium (PubChem CID 87457756) has the molecular formula C7H6F6N2O4S2 and a molecular weight of 360.26 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;pyridin-1-ium
PubChem CID87457756
Molecular FormulaC7H6F6N2O4S2
Molecular Weight360.26 g/mol
Exact Mass359.97
IUPAC Namebis(trifluoromethylsulfonyl)azanide;pyridin-1-ium
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C2F6NO4S2/c1-2-4-6-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;/q;-1/p+1
InChIKeyFAEDTLRWFVACQR-UHFFFAOYSA-O
XLogP1.56
TPSA96.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium (CID 87457756) is bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.c1cc[nH+]cc1.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium?
The InChIKey is FAEDTLRWFVACQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N.C2F6NO4S2/c1-2-4-6-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-5H;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium?
bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium has a molecular weight of 360.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;pyridin-1-ium is sourced from PubChem (CID 87457756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).