2-Chloro-6-methyl-isonicotinic acid tert-butyl ester
Basic information
- Standard SMILES
Cc1cc(C(=O)OC(C)(C)C)cc(Cl)n1- InChIKey
WZWKODYUZDFLPG-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- 2-Chloro-6-methyl-isonicotinic acid tert-butyl ester
- IUPAC
- tert-butyl 2-chloro-6-methylpyridine-4-carboxylate
Names & synonyms
2-Chloro-6-methyl-isonicotinic acid tert-butyl ester849226-45-52-chloro-6-methyl-isonicotinic acid tert.-butyl esterSCHEMBL1425447WZWKODYUZDFLPG-UHFFFAOYSA-NDB-338291tert-Butyl 2-chloro-6-methyl-4-pyridinecarboxylate
Database identifiers
- PubChem CID
- 86040366
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
15 records
Compound notes
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