2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid

C13H9F3N2O5S — CID 20552279

IUPAC2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C13H9F3N2O5S/c14-13(15,16)24(22,23)18-8-3-1-7(2-4-8)10-6-5-9(12(20)21)11(19)17-10/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyTTYVRYCFQKKPQZ-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.00
Rot. Bonds4

About 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid

2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 20552279) has the molecular formula C13H9F3N2O5S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID20552279
Molecular FormulaC13H9F3N2O5S
Molecular Weight362.29 g/mol
Exact Mass362.02
IUPAC Name2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C13H9F3N2O5S/c14-13(15,16)24(22,23)18-8-3-1-7(2-4-8)10-6-5-9(12(20)21)11(19)17-10/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyTTYVRYCFQKKPQZ-UHFFFAOYSA-N
XLogP2.00
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid (CID 20552279) is 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is TTYVRYCFQKKPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O5S/c14-13(15,16)24(22,23)18-8-3-1-7(2-4-8)10-6-5-9(12(20)21)11(19)17-10/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid?
2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 362.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-(trifluoromethylsulfonylamino)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 20552279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).