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Basic information
- Standard SMILES
O=CCc1c(Cl)ncnc1-c1ccccn1- InChIKey
RANAEERVKMJLMV-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O
- Average molar mass
- 233.65 g/mol
- Monoisotopic mass
- 233.0355896
Names & identifiers
- Preferred name
- 2-(4-Chloro-6-(pyridin-2-yl)pyrimidin-5-yl)acetaldehyde
- IUPAC
- 2-(4-chloro-6-pyridin-2-ylpyrimidin-5-yl)acetaldehyde
Names & synonyms
1456534-40-92-(4-chloro-6-(pyridin-2-yl)pyrimidin-5-yl)acetaldehydeSCHEMBL15271816RANAEERVKMJLMV-UHFFFAOYSA-NDA-44443
Database identifiers
- PubChem CID
- 89815212
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
2 records
Compound notes
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