5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid

C13H12N2O5S — CID 81447419

IUPAC5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H12N2O5S/c1-21(18,19)10-4-2-9(3-5-10)20-12-11(14)6-8(7-15-12)13(16)17/h2-7H,14H2,1H3,(H,16,17)
InChIKeyJVSHOOIAHWYVHY-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.56
Rot. Bonds4

About 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid

5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (PubChem CID 81447419) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
PubChem CID81447419
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1
InChIInChI=1S/C13H12N2O5S/c1-21(18,19)10-4-2-9(3-5-10)20-12-11(14)6-8(7-15-12)13(16)17/h2-7H,14H2,1H3,(H,16,17)
InChIKeyJVSHOOIAHWYVHY-UHFFFAOYSA-N
XLogP1.56
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (CID 81447419) is 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is CS(=O)(=O)c1ccc(Oc2ncc(C(=O)O)cc2N)cc1.
What is the InChIKey of 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is JVSHOOIAHWYVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-21(18,19)10-4-2-9(3-5-10)20-12-11(14)6-8(7-15-12)13(16)17/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 308.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).