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3-(4-Fluorophenyl)-2-oxo-2H-1,2'-bipyridine-5-carboxylic acid

HCID 67339372
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc(-c2ccc(F)cc2)c(=O)n(-c2ccccn2)c1
InChIKey
FHRSMJZRWTYWAG-UHFFFAOYSA-N
Molecular formula
C17H11FN2O3
Average molar mass
310.28 g/mol

Names & identifiers

Preferred name
3-(4-Fluorophenyl)-2-oxo-2H-1,2'-bipyridine-5-carboxylic acid
IUPAC
5-(4-fluorophenyl)-6-oxo-1-pyridin-2-ylpyridine-3-carboxylic acid

Names & synonyms

SCHEMBL2263082FHRSMJZRWTYWAG-UHFFFAOYSA-N3-(4-Fluorophenyl)-2-oxo-2H-1,2'-bipyridine-5-carboxylic acid

Database identifiers

PubChem CID
67339372

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
70.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
550

Related reactions

3 records
New reaction record
HRID 1215390 reaction equation
HRID 1215390As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1909153 reaction equation
HRID 1909153As reactantuspto-grants-2013_12
HRID 2343712 reaction equation
HRID 2343712As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes