Basic information
- Standard SMILES
Cl.O=c1[nH]cc(-c2ccc(Cl)nc2)c(=O)[nH]1- InChIKey
LRMRXSZVZMOEPF-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2N3O2
- Average molar mass
- 260.07 g/mol
Names & identifiers
- Preferred name
- 5-(6-Chloro-pyridin-3-yl)-1H-pyrimidine-2,4-dione hydrochloride
- IUPAC
- 5-(6-chloro-3-pyridinyl)-1H-pyrimidine-2,4-dione;hydrochloride
Names & synonyms
SCHEMBL3562807LRMRXSZVZMOEPF-UHFFFAOYSA-N5-(6-Chloro-pyridin-3-yl)-1H-pyrimidine-2,4-dione hydrochloride
Database identifiers
- PubChem CID
- 86615948
Properties
Computed structural properties
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
2 records
Compound notes
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