(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate

C9H10N2O4S — CID 22098075

IUPAC(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate
SMILESCc1cc(C)n(OS(C)(=O)=O)c(=O)c1C#N
InChIInChI=1S/C9H10N2O4S/c1-6-4-7(2)11(15-16(3,13)14)9(12)8(6)5-10/h4H,1-3H3
InChIKeyRYHRMXXTOGASBG-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.27
Rot. Bonds2

About (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate

(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate (PubChem CID 22098075) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate.

Molecular Properties

Compound Name(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate
PubChem CID22098075
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate
SMILESCc1cc(C)n(OS(C)(=O)=O)c(=O)c1C#N
InChIInChI=1S/C9H10N2O4S/c1-6-4-7(2)11(15-16(3,13)14)9(12)8(6)5-10/h4H,1-3H3
InChIKeyRYHRMXXTOGASBG-UHFFFAOYSA-N
XLogP-0.27
TPSA89.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate?
The IUPAC name of (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate (CID 22098075) is (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate.
What is the SMILES notation for (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate?
The canonical SMILES for (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate is Cc1cc(C)n(OS(C)(=O)=O)c(=O)c1C#N.
What is the InChIKey of (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate?
The InChIKey is RYHRMXXTOGASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-6-4-7(2)11(15-16(3,13)14)9(12)8(6)5-10/h4H,1-3H3.
What are the key properties of (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate?
(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate has a molecular weight of 242.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl) methanesulfonate is sourced from PubChem (CID 22098075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).