chempirical

3-Fluoro-4-iodopyridine-2-carbonitrile

C6H2FIN2CAS 669066-35-7248.00 g/mol

Open in Covalent MOL file
NIFN
Aryl halideNitrile

Properties

Molecular formula
C6H2FIN2
Molar mass
248.00 g/mol
Exact mass
247.9247 Da
logP
1.70Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
669066-35-7
SMILES
C1=CN=C(C(=C1I)F)C#N
InChIKey
CLBCNDXLHUIEBW-UHFFFAOYSA-N
InChI
InChI=1S/C6H2FIN2/c7-6-4(8)1-2-10-5(6)3-9/h1-2H

Weigh it out

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Work with 3-Fluoro-4-iodopyridine-2-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Iodopyridine-2-carbonitrile827616-52-455 % similar 2,3-Difluoro-4-iodopyridine851386-34-053 % similar 2-Chloro-3-fluoro-4-iodopyridine148639-07-050 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-746 % similar 2,3-Dicyanopyrazine13481-25-945 % similar 1-Isoquinolinecarbonitrile1198-30-742 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-642 % similar Pyridine-2,3-dicarbonitrile17132-78-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook