Basic information
- Standard SMILES
CC(C)OC(=O)c1cnc(OC(C)C)c(Cl)c1- InChIKey
DZGWJMMDFNFBBH-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO3
- Average molar mass
- 257.71 g/mol
Names & identifiers
- Preferred name
- Isopropyl 5-chloro-6-isopropoxynicotinate
- IUPAC
- propan-2-yl 5-chloro-6-propan-2-yloxypyridine-3-carboxylate
Names & synonyms
isopropyl 5-chloro-6-isopropoxynicotinate187401-46-3SCHEMBL401766DZGWJMMDFNFBBH-UHFFFAOYSA-Nisopropyl5-chloro-6-isopropoxynicotinateDB-3343355-chloro-6-isopropoxy-nicotinic acid isopropyl esterpropan-2-yl 5-chloro-6-(propan-2-yloxy)pyridine-3-carboxylate1-Methylethyl 5-chloro-6-[(1-methylethyl)oxy]-3-pyridinecarboxylate
Database identifiers
- PubChem CID
- 22985641
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
11 records
Compound notes
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