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3-(3,5-Difluorophenyl)picolinaldehyde

HCID 71742902
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ncccc1-c1cc(F)cc(F)c1
InChIKey
REPRBYWPTHUUNR-UHFFFAOYSA-N
Molecular formula
C12H7F2NO
Average molar mass
219.19 g/mol

Names & identifiers

Preferred name
3-(3,5-Difluorophenyl)picolinaldehyde
IUPAC
3-(3,5-difluorophenyl)pyridine-2-carbaldehyde

Names & synonyms

3-(3,5-DIFLUOROPHENYL)PICOLINALDEHYDE780801-43-63-(3,5-difluorophenyl)pyridine-2-carbaldehyde3-(3,5-difluoro-phenyl)-pyridine-2-carbaldehydeSCHEMBL2083958REPRBYWPTHUUNR-UHFFFAOYSA-N

Database identifiers

PubChem CID
71742902

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
239

Related reactions

4 records
New reaction record
HRID 93881 reaction equation
HRID 93881As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 250980 reaction equation
HRID 250980As productuspto-grants-2011_01
HRID 1152615 reaction equation
HRID 1152615As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1592418 reaction equation
HRID 1592418As productuspto-grants-2007_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes