Tert-butyl 2-(6-methoxy-5-methyl-3-nitropyridin-2-yl)acetate

HCID 44596705
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Basic information

Standard SMILES
COc1nc(CC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C
InChIKey
BVYMBBLLDIFXQT-UHFFFAOYSA-N
Molecular formula
C13H18N2O5
Average molar mass
282.29 g/mol
Monoisotopic mass
282.12157168

Names & identifiers

Preferred name
Tert-butyl 2-(6-methoxy-5-methyl-3-nitropyridin-2-yl)acetate
IUPAC
tert-butyl 2-(6-methoxy-5-methyl-3-nitro-2-pyridinyl)acetate

Names & synonyms

SCHEMBL1559898BVYMBBLLDIFXQT-UHFFFAOYSA-Ntert-butyl 2-(6-methoxy-5-methyl-3-nitropyridin-2-yl)acetate

Database identifiers

PubChem CID
44596705

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
20

Related reactions

12 records
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Compound notes

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