N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate

C10H10F6N2O4S — CID 89407045

IUPACN,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate
SMILESCN(C)c1ccccn1.O=C(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10N2.C3F6O4S/c1-9(2)7-5-3-4-6-8-7;4-2(5,6)1(10)13-14(11,12)3(7,8)9/h3-6H,1-2H3;
InChIKeyREGXGEQWBQCWOY-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.09
Rot. Bonds2

About N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate

N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate (PubChem CID 89407045) has the molecular formula C10H10F6N2O4S and a molecular weight of 368.26 g/mol. Its IUPAC name is N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate
PubChem CID89407045
Molecular FormulaC10H10F6N2O4S
Molecular Weight368.26 g/mol
Exact Mass368.03
IUPAC NameN,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate
SMILESCN(C)c1ccccn1.O=C(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10N2.C3F6O4S/c1-9(2)7-5-3-4-6-8-7;4-2(5,6)1(10)13-14(11,12)3(7,8)9/h3-6H,1-2H3;
InChIKeyREGXGEQWBQCWOY-UHFFFAOYSA-N
XLogP2.09
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[2-amino-1-[methyl(pyridin-2-yl)amino]ethyl] 2,2,2-trifluoroacetate
CID 66813130
N,N-dimethylpyridin-2-amine;molecular hydrogen
CID 143283394
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N,N-dimethylpyridin-2-amine;triphenylborane
CID 157357235
2-[4-[methyl(pyridin-2-yl)amino]phenyl]acetic acid
CID 54597167
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069
[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256
trifluoromethylsulfonyl benzoate
CID 11064956
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
CID 139174362

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate?
The IUPAC name of N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate (CID 89407045) is N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate.
What is the SMILES notation for N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate?
The canonical SMILES for N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate is CN(C)c1ccccn1.O=C(OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate?
The InChIKey is REGXGEQWBQCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3F6O4S/c1-9(2)7-5-3-4-6-8-7;4-2(5,6)1(10)13-14(11,12)3(7,8)9/h3-6H,1-2H3;.
What are the key properties of N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate?
N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate has a molecular weight of 368.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-2-amine;trifluoromethylsulfonyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 89407045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).