5-t-Butoxycarbonyl-2-pyridylmethanol acetate
Basic information
- CAS
107756-11-6- Standard SMILES
CC(=O)OCc1ccc(C(=O)OC(C)(C)C)cn1- InChIKey
YVPWBCXZBWGFMA-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 5-t-Butoxycarbonyl-2-pyridylmethanol acetate
- IUPAC
- tert-butyl 6-(acetyloxymethyl)pyridine-3-carboxylate
Names & synonyms
5-t-butoxycarbonyl-2-pyridylmethanol acetateSCHEMBL9836530YVPWBCXZBWGFMA-UHFFFAOYSA-NDTXSID101181329107756-11-6tert-Butyl 6-[(acetyloxy)methyl]pyridine-3-carboxylate1,1-Dimethylethyl 6-[(acetyloxy)methyl]-3-pyridinecarboxylate
Database identifiers
- CAS
107756-11-6- PubChem CID
- 54529693
- DTXSID
DTXSID101181329
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
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Related reactions
2 records
Compound notes
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