ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate

C10H13NO4S — CID 59488726

IUPACethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)cc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-4-15-10(12)9-8(16(3,13)14)5-7(2)6-11-9/h5-6H,4H2,1-3H3
InChIKeyNTKUUSIEDGWHDS-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.97
Rot. Bonds3

About ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate

ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate (PubChem CID 59488726) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
PubChem CID59488726
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Nameethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)cc1S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-4-15-10(12)9-8(16(3,13)14)5-7(2)6-11-9/h5-6H,4H2,1-3H3
InChIKeyNTKUUSIEDGWHDS-UHFFFAOYSA-N
XLogP0.97
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 167884840
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
ethyl 5-[2,4-bis(methylsulfonyl)phenyl]-2H-triazole-4-carboxylate
CID 169401483
ethyl 3-cyano-5-methoxypyridine-2-carboxylate
CID 133097457
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
diethyl 5-(bromomethyl)pyridine-2,3-dicarboxylate
CID 141448737

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate (CID 59488726) is ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate is CCOC(=O)c1ncc(C)cc1S(C)(=O)=O.
What is the InChIKey of ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate?
The InChIKey is NTKUUSIEDGWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-4-15-10(12)9-8(16(3,13)14)5-7(2)6-11-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate?
ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate has a molecular weight of 243.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate is sourced from PubChem (CID 59488726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).