2-chloro-6-methyl-3-methylsulfonylpyridine

C7H8ClNO2S — CID 174895509

IUPAC2-chloro-6-methyl-3-methylsulfonylpyridine
SMILESCc1ccc(S(C)(=O)=O)c(Cl)n1
InChIInChI=1S/C7H8ClNO2S/c1-5-3-4-6(7(8)9-5)12(2,10)11/h3-4H,1-2H3
InChIKeyOBAROSKZXPFXCC-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-6-methyl-3-methylsulfonylpyridine

2-chloro-6-methyl-3-methylsulfonylpyridine (PubChem CID 174895509) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-methylsulfonylpyridine
PubChem CID174895509
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-chloro-6-methyl-3-methylsulfonylpyridine
SMILESCc1ccc(S(C)(=O)=O)c(Cl)n1
InChIInChI=1S/C7H8ClNO2S/c1-5-3-4-6(7(8)9-5)12(2,10)11/h3-4H,1-2H3
InChIKeyOBAROSKZXPFXCC-UHFFFAOYSA-N
XLogP1.45
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methylpyridine-3-sulfonyl chloride
CID 55280564
N-(2-chloro-6-methyl-3-pyridinyl)methanesulfonamide
CID 126989322
2,3,6-trichloro-4-methylsulfonylpyridine
CID 19890392
2-chloro-6-methyl-3-methylsulfanylpyridine
CID 175318056
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 83169313
2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
CID 87764222
2-chloro-3-isothiocyanato-6-methylpyridine
CID 83290701
1-chloro-4-methylsulfonylisoquinoline
CID 58724163
2-chloro-3-isocyano-6-methylpyridine;6-chloro-3-isocyano-2-methylpyridine;2,6-dichloro-3-isocyanopyridine
CID 158936207
4-chloro-5-methylsulfonylpyrimidine
CID 105446605
3-chloro-1,2-difluoro-4-methylsulfonylbenzene
CID 140551108
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-methylsulfonylpyridine?
The IUPAC name of 2-chloro-6-methyl-3-methylsulfonylpyridine (CID 174895509) is 2-chloro-6-methyl-3-methylsulfonylpyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-methylsulfonylpyridine?
The canonical SMILES for 2-chloro-6-methyl-3-methylsulfonylpyridine is Cc1ccc(S(C)(=O)=O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-3-methylsulfonylpyridine?
The InChIKey is OBAROSKZXPFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-5-3-4-6(7(8)9-5)12(2,10)11/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-methyl-3-methylsulfonylpyridine?
2-chloro-6-methyl-3-methylsulfonylpyridine has a molecular weight of 205.67 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-methylsulfonylpyridine is sourced from PubChem (CID 174895509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).