3-Fluoro-5-iodopicolinonitrile

HCID 21075868

Notes Reactions

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Basic information

CAS: 669066-36-8
Standard SMILES: N#Cc1ncc(I)cc1F
InChIKey: DFENTSHMWLRNLC-UHFFFAOYSA-N
Molecular formula: C6H2FIN2
Average molar mass: 248 g/mol
Monoisotopic mass: 247.92467428

Names & identifiers

Preferred name: 3-Fluoro-5-iodopicolinonitrile
IUPAC: 3-fluoro-5-iodopyridine-2-carbonitrile

Names & synonyms

3-Fluoro-5-iodopicolinonitrile669066-36-83-fluoro-5-iodopyridine-2-carbonitrile3-fluoro-5-iodo-2-pyridinecarbonitrileSCHEMBL3119330DFENTSHMWLRNLC-UHFFFAOYSA-NDTXSID001281720KHA10779DB-218074

Database identifiers

CAS: 669066-36-8
PubChem CID: 21075868
DTXSID: DTXSID001281720

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 164

Related reactions

3 records

New reaction record

HRID 314412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1374162As reactantuspto-grants-2007_01

HRID 2364525As reactantuspto-grants-2014_04

Compound notes

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