dipyridin-2-ylazanium;trifluoromethanesulfonate

C11H10F3N3O3S — CID 141243454

IUPACdipyridin-2-ylazanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc([NH2+]c2ccccn2)nc1
InChIInChI=1S/C10H9N3.CHF3O3S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1(3,4)8(5,6)7/h1-8H,(H,11,12,13);(H,5,6,7)
InChIKeyRGEHCYBBIKCEFZ-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.05
Rot. Bonds2

About dipyridin-2-ylazanium;trifluoromethanesulfonate

dipyridin-2-ylazanium;trifluoromethanesulfonate (PubChem CID 141243454) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is dipyridin-2-ylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedipyridin-2-ylazanium;trifluoromethanesulfonate
PubChem CID141243454
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Namedipyridin-2-ylazanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.c1ccc([NH2+]c2ccccn2)nc1
InChIInChI=1S/C10H9N3.CHF3O3S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1(3,4)8(5,6)7/h1-8H,(H,11,12,13);(H,5,6,7)
InChIKeyRGEHCYBBIKCEFZ-UHFFFAOYSA-N
XLogP1.05
TPSA99.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
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1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N,N'-Di-2-pyridinylthiourea
CID 702572
N-2-Propen-1-yl-N'-2-pyridinylthiourea
CID 1549591
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
N-(pyridin-2-yl)pyridine-2-carbothioamide
CID 750538
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
N,N-dimethyl-N'-(2-pyridinyl)sulfamide
CID 304350
N-(pyridin-2-yl)methanesulfonamide
CID 2831904
2-Allylaminopyridine
CID 260916

Frequently Asked Questions

What is the IUPAC name of dipyridin-2-ylazanium;trifluoromethanesulfonate?
The IUPAC name of dipyridin-2-ylazanium;trifluoromethanesulfonate (CID 141243454) is dipyridin-2-ylazanium;trifluoromethanesulfonate.
What is the SMILES notation for dipyridin-2-ylazanium;trifluoromethanesulfonate?
The canonical SMILES for dipyridin-2-ylazanium;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.c1ccc([NH2+]c2ccccn2)nc1.
What is the InChIKey of dipyridin-2-ylazanium;trifluoromethanesulfonate?
The InChIKey is RGEHCYBBIKCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.CHF3O3S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2-1(3,4)8(5,6)7/h1-8H,(H,11,12,13);(H,5,6,7).
What are the key properties of dipyridin-2-ylazanium;trifluoromethanesulfonate?
dipyridin-2-ylazanium;trifluoromethanesulfonate has a molecular weight of 321.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipyridin-2-ylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 141243454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).