4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid

C8H10N2O4S — CID 2052732

IUPAC4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
SMILESCN(c1ccnc(C(=O)O)c1)S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyIELJWLAXWABCLK-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.18
Rot. Bonds3

About 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid

4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid (PubChem CID 2052732) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
PubChem CID2052732
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid
SMILESCN(c1ccnc(C(=O)O)c1)S(C)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyIELJWLAXWABCLK-UHFFFAOYSA-N
XLogP0.18
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid (CID 2052732) is 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid is CN(c1ccnc(C(=O)O)c1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IELJWLAXWABCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-10(15(2,13)14)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid?
4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 230.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 2052732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).