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2-Fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-5-nitropyridine

HCID 22474881
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record
HRID 308671 reaction equation
HRID 308671As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 319343 reaction equation
HRID 319343As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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