Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,5-pyridine-dicarboxylate

HCID 20189336
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Basic information

Standard SMILES
CCOC(=O)C1=C(C)NC(O)(C(F)(F)F)C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
HTDMEQVCMXRDBL-UHFFFAOYSA-N
Molecular formula
C19H21F3N2O7
Average molar mass
446.4 g/mol
Monoisotopic mass
446.1300855

Names & identifiers

Preferred name
Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,5-pyridine-dicarboxylate
IUPAC
diethyl 2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

Names & synonyms

Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,5-pyridine-dicarboxylateSCHEMBL7439172Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,5-pyridinedicarboxylate

Database identifiers

PubChem CID
20189336

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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