Completing data — usually done within a minute
Basic information
- CAS
102830-69-3- Standard SMILES
CS(=O)(=O)c1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2- InChIKey
PLUZLNCQMIQXML-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NO3S
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 356.99931964
Names & identifiers
- Preferred name
- Mdl 20610
- IUPAC
- 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Names & synonyms
102830-69-3MDL 20610Mdl-20,6102H-Pyrano(2,3-b)pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-2H-Pyrano[2,3-b]pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-RefChem:1561242-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridineCHEMBL41388orb3174128SCHEMBL9672462DTXSID80908070PLUZLNCQMIQXML-UHFFFAOYSA-N
Show more names
2-(3'-4'-Dichlorophenoxy)-2H-pyrano(2,3-b)pyridine-6-methylsulfone2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-2H-pyrano[2,3-b]pyridine2-(3,4-Dichlorophenyl)-6-(methanesulfonyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Database identifiers
- CAS
102830-69-3- PubChem CID
- 128209
- DTXSID
DTXSID80908070- ChEMBL
CHEMBL41388- Nikkaji
- J227.879K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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