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Basic information
- Standard SMILES
O=CC1=C2C(CCCN2Cc2ccc(Cl)nc2)OC1=O- InChIKey
IUFIHRZJCNDPRG-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3
- Average molar mass
- 292.72 g/mol
Names & identifiers
- Preferred name
- 3-Formyl-4-[(6-chloropyridin-3-yl)methyl]-5,6,7,7a-tetrahydrofuro [3,2-b]-pyridin-2(4H)-one
- IUPAC
- 4-[(6-chloro-3-pyridinyl)methyl]-2-oxo-5,6,7,7a-tetrahydrofuro[3,2-b]pyridine-3-carbaldehyde
Names & synonyms
SCHEMBL1801560IUFIHRZJCNDPRG-UHFFFAOYSA-N3-Formyl-4-[(6-chloropyridin-3-yl)methyl]-5,6,7,7a-tetrahydrofuro [3,2-b]-pyridin-2(4H)-one
Database identifiers
- PubChem CID
- 57779829
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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