6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid

C10H12N2O6S — CID 54009396

IUPAC6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid
SMILESCc1nc(C(=O)O)c(C(=O)O)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H12N2O6S/c1-5-7(12(2)19(3,17)18)4-6(9(13)14)8(11-5)10(15)16/h4H,1-3H3,(H,13,14)(H,15,16)
InChIKeyKRFMQENMGRRKPA-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.18
Rot. Bonds4

About 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid

6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid (PubChem CID 54009396) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid
PubChem CID54009396
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid
SMILESCc1nc(C(=O)O)c(C(=O)O)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H12N2O6S/c1-5-7(12(2)19(3,17)18)4-6(9(13)14)8(11-5)10(15)16/h4H,1-3H3,(H,13,14)(H,15,16)
InChIKeyKRFMQENMGRRKPA-UHFFFAOYSA-N
XLogP0.18
TPSA124.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid (CID 54009396) is 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid is Cc1nc(C(=O)O)c(C(=O)O)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid?
The InChIKey is KRFMQENMGRRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-5-7(12(2)19(3,17)18)4-6(9(13)14)8(11-5)10(15)16/h4H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid?
6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[methyl(methylsulfonyl)amino]pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 54009396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).