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Compound
2-Fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-5-nitropyridine
HCID
22474881
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cc1c(F)ncc([N+](=O)[O-])c1OC(C)(C)C
InChIKey
NYVNCHZWDJGXRM-UHFFFAOYSA-N
Molecular formula
C10H13FN2O3
Average molar mass
228.22 g/mol
Names & identifiers
Preferred name
2-Fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-5-nitropyridine
IUPAC
2-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-5-nitropyridine
Names & synonyms
SCHEMBL6175588
Database identifiers
PubChem CID
22474881
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
262
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
308671
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
319343
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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