2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C8H7F3N2O4S — CID 18755559

IUPAC2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C8H7F3N2O4S/c1-18(16,17)13-6-4(7(14)15)2-3-5(12-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyPCAARCFFEZPFII-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.17
Rot. Bonds3

About 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 18755559) has the molecular formula C8H7F3N2O4S and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID18755559
Molecular FormulaC8H7F3N2O4S
Molecular Weight284.22 g/mol
Exact Mass284.01
IUPAC Name2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C8H7F3N2O4S/c1-18(16,17)13-6-4(7(14)15)2-3-5(12-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyPCAARCFFEZPFII-UHFFFAOYSA-N
XLogP1.17
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 18755559) is 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CS(=O)(=O)Nc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PCAARCFFEZPFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4S/c1-18(16,17)13-6-4(7(14)15)2-3-5(12-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 18755559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).