Basic information
- Standard SMILES
O=C1C=C2C(CC(O)(CO)CN2Cc2ccc(Cl)nc2)O1- InChIKey
SZFMCKHRCGYTTN-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O4
- Average molar mass
- 310.73 g/mol
Names & identifiers
- Preferred name
- 4-[(6-Chloropyridin-3-yl)methyl]-6-hydroxy-6-hydroxymethyl-5,6,7,7a-tetrahydrofuro[3,2-b]pyridin-2(4H)-one
- IUPAC
- 4-[(6-chloro-3-pyridinyl)methyl]-6-hydroxy-6-(hydroxymethyl)-7,7a-dihydro-5H-furo[3,2-b]pyridin-2-one
Names & synonyms
SCHEMBL1798876SZFMCKHRCGYTTN-UHFFFAOYSA-N4-[(6-Chloropyridin-3-yl)methyl]-6-hydroxy-6-hydroxymethyl-5,6,7,7a-tetrahydrofuro[3,2-b]pyridin-2(4H)-one
Database identifiers
- PubChem CID
- 57779828
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Related reactions
1 records
Compound notes
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