2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride

C9H9ClN2O3S — CID 64665752

IUPAC2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
SMILESCC1(c2cccnc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClN2O3S/c1-9(7-3-2-4-11-6-7)5-8(13)12(9)16(10,14)15/h2-4,6H,5H2,1H3
InChIKeyUZNDEBMHJQNPAD-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride

2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride (PubChem CID 64665752) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
PubChem CID64665752
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
SMILESCC1(c2cccnc2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClN2O3S/c1-9(7-3-2-4-11-6-7)5-8(13)12(9)16(10,14)15/h2-4,6H,5H2,1H3
InChIKeyUZNDEBMHJQNPAD-UHFFFAOYSA-N
XLogP1.01
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64665755
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-(1-ethyl-2-methylpyrrolidin-2-yl)pyridine
CID 176918775
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
4-pyridin-3-ylbenzenesulfonyl chloride
CID 10682327
3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
CID 175960409
3-[4-(1-methylcyclopropyl)phenyl]pyridine
CID 90269531
(2,2-dimethyl-1-pyridin-3-ylcyclopropyl)methanamine
CID 83481940
7,7-dimethyl-2-oxo-1-azaspiro[3.3]heptane-1-sulfonyl chloride
CID 130555346
(3S,5S)-3,5-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 98456298
1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
CID 79521666
1-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxan-5-yl)ethanone
CID 90089948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride?
The IUPAC name of 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride (CID 64665752) is 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride is CC1(c2cccnc2)CC(=O)N1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride?
The InChIKey is UZNDEBMHJQNPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c1-9(7-3-2-4-11-6-7)5-8(13)12(9)16(10,14)15/h2-4,6H,5H2,1H3.
What are the key properties of 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride?
2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride has a molecular weight of 260.70 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64665752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).