Isopropyl 5-chloro-6-isopropoxynicotinate

HCID 22985641

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

Related reactions

11 records

Compound notes

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