2-Iodo-isonicotinic acid

C₆H₄INO₂CAS 58481-10-0249.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₄INO₂
Molar mass: 249.01 g/mol
Exact mass: 248.9287 Da
logP: 1.38Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
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

58481-10-0

SMILES

C1=CN=C(C=C1C(=O)O)I

InChIKey

FALCXGCLOUKBSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4INO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

Weigh it out

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Names and synonyms

1 names

2-Iodoisonicotinic acid

Work with 2-Iodo-isonicotinic acid

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

2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-365 % similar Lutidinic acid499-80-963 % similar 2-Fluoroisonicotinic acid402-65-361 % similar 2-Aminopyridine-4-carboxylic acid13362-28-259 % similar 2-Methylpyridine-4-carboxylic acid4021-11-859 % similar 2-Chloroisonicotinic acid6313-54-859 % similar 2-Bromoisonicotinic acid66572-56-359 % similar 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid216018-58-557 % similar

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

Same formula

4-Iodopyridine-2-carboxylic acid405939-79-9 1-Iodo-2-nitrobenzene609-73-4 1-Iodo-4-nitrobenzene636-98-6 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

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