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3-Fluoro-2-(2-fluoro-5-nitrophenyl)pyridine

HCID 22285339
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(F)c(-c2ncccc2F)c1
InChIKey
BWOHRQOZGRVCIP-UHFFFAOYSA-N
Molecular formula
C11H6F2N2O2
Average molar mass
236.17 g/mol

Names & identifiers

Preferred name
3-Fluoro-2-(2-fluoro-5-nitrophenyl)pyridine
IUPAC
3-fluoro-2-(2-fluoro-5-nitrophenyl)pyridine

Names & synonyms

SCHEMBL2650831BWOHRQOZGRVCIP-UHFFFAOYSA-N3-fluoro-2-(2-fluoro-5-nitrophenyl)pyridine

Database identifiers

PubChem CID
22285339

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
285

Related reactions

6 records
New reaction record
HRID 586285 reaction equation
HRID 586285As productuspto-grants-2005_08
HRID 586286 reaction equation
HRID 586286As reactantuspto-grants-2005_08
HRID 678115 reaction equation
HRID 678115As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 813959 reaction equation
HRID 813959As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 957230 reaction equation
HRID 957230As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1061753 reaction equation
HRID 1061753As productuspto-grants-2005_11

Compound notes

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