chempirical

Methyl 2-amino-5-iodobenzoate

C8H8INO2CAS 77317-55-6277.06 g/mol

Open in Covalent MOL file
OOIH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C8H8INO2
Molar mass
277.06 g/mol
Exact mass
276.9600 Da
Melting point
83–84 °C
logP
1.66Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
77317-55-6
SMILES
COC(=O)c1cc(I)ccc1N
InChIKey
NNXVARLKWUFGGG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8INO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-amino-5-iodo-, methyl ester
  • Anthranilic acid, 5-iodo-, methyl ester
  • Methyl 5-iodoanthranilate
  • 5-Iodoanthranilic acid methyl ester
  • 2-Amino-5-iodobenzoic acid methyl ester

Work with Methyl 2-amino-5-iodobenzoate

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

Ethyl 2-amino-5-iodobenzoate268568-11-267 % similar Methyl 5-methylanthranilate18595-16-965 % similar Methyl 5-hydroxyanthranilate1882-72-063 % similar Methyl 2-amino-5-fluorobenzoate319-24-463 % similar Methyl 5-iodosalicylate4068-75-163 % similar Methyl 2-amino-5-chlorobenzoate5202-89-163 % similar Methyl 2-amino-5-bromobenzoate52727-57-863 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-059 % similar

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

Elsewhere

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