8-chloro-4-ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridin-3-one
Basic information
- CAS
40899-34-1- Standard SMILES
CCC1(O)C(=O)OCc2c1ccnc2Cl- InChIKey
UPJGDVPRPPOLDU-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
- Monoisotopic mass
- 227.0349209
Names & identifiers
- Preferred name
- 8-chloro-4-ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridin-3-one
- IUPAC
- 8-chloro-4-ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridin-3-one
Names & synonyms
40899-34-18-chloro-4-ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridin-3-oneNSC166611DTXSID10304642NSC-1666118-chloro-4-ethyl-4-hydroxy-1,4-dihydro-3H-pyrano[3,4-c]pyridin-3-one
Database identifiers
- CAS
40899-34-1- PubChem CID
- 296453
- DTXSID
DTXSID10304642
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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