Completing data — usually done within a minute
Basic information
- CAS
102830-64-8- Standard SMILES
Clc1ccc(C2CCc3cc(Br)cnc3O2)cc1Cl- InChIKey
KPNRIVBFNMVMSS-UHFFFAOYSA-N- Molecular formula
- C14H10BrCl2NO
- Average molar mass
- 359 g/mol
- Monoisotopic mass
- 356.9322814
Names & identifiers
- Preferred name
- Mdl 20646
- IUPAC
- 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Names & synonyms
102830-64-8Mdl 20646Mdl-20,6462H-Pyrano(2,3-b)pyridine, 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-Pyrano[2,3-b]pyridine, 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-RefChem:1561256-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridineCHEMBL40308SCHEMBL9672178DTXSID30908065KPNRIVBFNMVMSS-UHFFFAOYSA-N6-Bromo-2-(3',4'-dichlorophenoxy)-2H-pyrano(2,3-b)pyridine
Database identifiers
- CAS
102830-64-8- PubChem CID
- 128207
- DTXSID
DTXSID30908065- ChEMBL
CHEMBL40308
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
4 records
Compound notes
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