5-Iodosalicylic acid

C₇H₅IO₃CAS 119-30-2264.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅IO₃
Molar mass: 264.02 g/mol
Exact mass: 263.9283 Da
Melting point: 190 °C
logP: 1.70Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

119-30-2

SMILES

O=C(O)c1cc(I)ccc1O

InChIKey

SWDNKOFGNPGRPI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzoic acid, 2-hydroxy-5-iodo-
Salicylic acid, 5-iodo-
2-Hydroxy-5-iodobenzoic acid
5-Iodo-2-hydroxybenzoic acid
6-Hydroxy-3-iodobenzoic acid
NSC 2789

Work with 5-Iodosalicylic 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

2,5-Diiodobenzoic acid14192-12-266 % similar 5-Iodo-2-methylbenzoic acid54811-38-064 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 2-Fluoro-5-iodobenzoic acid124700-41-062 % similar 2-Chloro-5-iodobenzoic acid19094-56-562 % similar 5,5′-Methylenedisalicylic acid122-25-859 % similar Olsalazine15722-48-259 % similar

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

Same formula

2-Iodosylbenzoic acid304-91-6 3-Hydroxy-4-iodobenzoic acid58123-77-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook