3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide

C8H7F3N2O4S — CID 175909596

IUPAC3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCc1c(S(=O)(=O)C(F)(F)F)cnc(C(N)=O)c1O
InChIInChI=1S/C8H7F3N2O4S/c1-3-4(18(16,17)8(9,10)11)2-13-5(6(3)14)7(12)15/h2,14H,1H3,(H2,12,15)
InChIKeyGEHMLVBXVMLTMB-UHFFFAOYSA-N
MW284.22 g/mol
LogP0.49
Rot. Bonds2

About 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide

3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide (PubChem CID 175909596) has the molecular formula C8H7F3N2O4S and a molecular weight of 284.22 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide
PubChem CID175909596
Molecular FormulaC8H7F3N2O4S
Molecular Weight284.22 g/mol
Exact Mass284.01
IUPAC Name3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide
SMILESCc1c(S(=O)(=O)C(F)(F)F)cnc(C(N)=O)c1O
InChIInChI=1S/C8H7F3N2O4S/c1-3-4(18(16,17)8(9,10)11)2-13-5(6(3)14)7(12)15/h2,14H,1H3,(H2,12,15)
InChIKeyGEHMLVBXVMLTMB-UHFFFAOYSA-N
XLogP0.49
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide (CID 175909596) is 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide is Cc1c(S(=O)(=O)C(F)(F)F)cnc(C(N)=O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
The InChIKey is GEHMLVBXVMLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4S/c1-3-4(18(16,17)8(9,10)11)2-13-5(6(3)14)7(12)15/h2,14H,1H3,(H2,12,15).
What are the key properties of 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide?
3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide has a molecular weight of 284.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-(trifluoromethylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 175909596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).