chempirical

2-Fluoro-4-iodonicotinic acid methyl ester

C7H5FINO2CAS 884494-84-2281.02 g/mol

Open in Covalent MOL file
OONFI
Aryl halideEster

Properties

Molecular formula
C7H5FINO2
Molar mass
281.02 g/mol
Exact mass
280.9349 Da
logP
1.61Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
884494-84-2
SMILES
COC(=O)C1=C(C=CN=C1F)I
InChIKey
SEKGCCUEERLGFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3

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Names and synonyms

1 names
  • Methyl 2-fluoro-4-iodopyridine-3-carboxylate

Work with 2-Fluoro-4-iodonicotinic acid methyl ester

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

2-Fluoronicotinic acid methyl ester446-26-454 % similar 3-Iodoisonicotinic acid methyl ester188677-49-847 % similar Methyl 2,6-difluorobenzoate13671-00-645 % similar 2,3-Difluoro-4-iodopyridine851386-34-045 % similar Methyl 2-iodobenzoate610-97-944 % similar Methyl 2-chloroisonicotinate58481-11-143 % similar Methyl 3-fluoropyridine-2-carboxylate869108-35-043 % similar 2-Fluoro-4-iodopyridine-3-carbaldehyde153034-82-343 % similar

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

Elsewhere

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