[5-Acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methylpyridin-4-yl]methyl acetate

Substructure search Find similar structures

Basic information

CAS: 93536-17-5
Standard SMILES: CC(=O)OCc1c(Cl)nc(C)c(OC(C)=O)c1COC(C)=O
InChIKey: NTUVDPACWYQJNH-UHFFFAOYSA-N
Molecular formula: C14H16ClNO6
Average molar mass: 329.73 g/mol
Monoisotopic mass: 329.0666149

Names & identifiers

Preferred name: [5-Acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methylpyridin-4-yl]methyl acetate
IUPAC: [5-acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methyl-4-pyridinyl]methyl acetate

Names & synonyms

93536-17-5NSC529682[5-acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methylpyridin-4-yl]methyl acetateDTXSID50326520NSC-529682[5-(Acetyloxy)-2-chloro-6-methylpyridine-3,4-diyl]bis(methylene) diacetate

Database identifiers

CAS: 93536-17-5
PubChem CID: 353002
DTXSID: DTXSID50326520

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 91.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 430

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…