6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C11H13F3N2O3S — CID 122628424

IUPAC6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O3S/c1-10(2,3)8-6-4-5-7(15-8)9(17)16-20(18,19)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKeyGKJORDYLLPKJAX-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.96
Rot. Bonds2

About 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide

6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 122628424) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID122628424
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O3S/c1-10(2,3)8-6-4-5-7(15-8)9(17)16-20(18,19)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChIKeyGKJORDYLLPKJAX-UHFFFAOYSA-N
XLogP1.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 122628424) is 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is CC(C)(C)c1cccc(C(=O)NS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is GKJORDYLLPKJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-10(2,3)8-6-4-5-7(15-8)9(17)16-20(18,19)11(12,13)14/h4-6H,1-3H3,(H,16,17).
What are the key properties of 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 122628424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).