Basic information
- CAS
89508-51-0- Standard SMILES
[O-][n+]1cccc(-c2nc(Cl)cc(Cl)n2)c1- InChIKey
OGRKYUSADBXJLE-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2N3O
- Average molar mass
- 242.06 g/mol
- Monoisotopic mass
- 240.9809672
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-(1-oxo-1lambda~5~-pyridin-3-yl)pyrimidine
- IUPAC
- 4,6-dichloro-2-(1-oxidopyridin-1-ium-3-yl)pyrimidine
Names & synonyms
89508-51-0SCHEMBL10751654DTXSID206032344,6-Dichloro-2-(1-oxo-1lambda~5~-pyridin-3-yl)pyrimidine
Database identifiers
- CAS
89508-51-0- PubChem CID
- 20165533
- DTXSID
DTXSID20603234
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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