Basic information
- Standard SMILES
O=C1C=C2C(O1)C(O)CCN2Cc1ccc(Cl)nc1- InChIKey
XKWVWOUUTHRCBK-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O3
- Average molar mass
- 280.7 g/mol
Names & identifiers
- Preferred name
- 4-[(6-chloropyridin-3-yl)methyl]-7-hydroxy-5,6,7,7a-tetrahydrofuro-[3,2-b]pyridin-2(4H)-one
- IUPAC
- 4-[(6-chloro-3-pyridinyl)methyl]-7-hydroxy-5,6,7,7a-tetrahydrofuro[3,2-b]pyridin-2-one
Names & synonyms
SCHEMBL1803242XKWVWOUUTHRCBK-UHFFFAOYSA-N4-[(6-chloropyridin-3-yl)methyl]-7-hydroxy-5,6,7,7a-tetrahydrofuro-[3,2-b]pyridin-2(4H)-one
Database identifiers
- PubChem CID
- 57779817
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Compound notes
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