2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride

C9H10ClNO3S — CID 147771596

IUPAC2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride
SMILESCC(=O)Cc1ccc(S(=O)(=O)Cl)c(C)n1
InChIInChI=1S/C9H10ClNO3S/c1-6(12)5-8-3-4-9(7(2)11-8)15(10,13)14/h3-4H,5H2,1-2H3
InChIKeyHGAQHVQIBMIRIZ-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride

2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride (PubChem CID 147771596) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride
PubChem CID147771596
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride
SMILESCC(=O)Cc1ccc(S(=O)(=O)Cl)c(C)n1
InChIInChI=1S/C9H10ClNO3S/c1-6(12)5-8-3-4-9(7(2)11-8)15(10,13)14/h3-4H,5H2,1-2H3
InChIKeyHGAQHVQIBMIRIZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride (CID 147771596) is 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride is CC(=O)Cc1ccc(S(=O)(=O)Cl)c(C)n1.
What is the InChIKey of 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride?
The InChIKey is HGAQHVQIBMIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-6(12)5-8-3-4-9(7(2)11-8)15(10,13)14/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride?
2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride has a molecular weight of 247.70 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-oxopropyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 147771596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).