Ethyl 2-amino-5-iodobenzoate

C9H10INO2CAS 268568-11-2291.09 g/mol

Open in Covalent MOL file
OOIH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C9H10INO2
Molar mass
291.09 g/mol
Exact mass
290.9756 Da
logP
2.05Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
268568-11-2
SMILES
CCOC(=O)c1cc(I)ccc1N
InChIKey
FPCLHSGOJPEKKE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2-amino-5-iodo-, ethyl ester
  • Ethyl 5-iodoanthranilate

Work with Ethyl 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

Methyl 2-amino-5-iodobenzoate77317-55-667 % similar Ethyl 2-aminobenzoate87-25-262 % similar Ethyl 4-iodobenzoate51934-41-956 % similar Ethyl 3,4-diaminobenzoate37466-90-356 % similar Ethyl 3-iodobenzoate58313-23-855 % similar Ethyl 3-aminoisonicotinate14208-83-452 % similar 2-Amino-5-iodobenzoic acid5326-47-651 % similar Ethyl 2-iodobenzoate1829-28-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-dl-phenylalanine14173-41-2 4-Iodophenylalanine24250-85-9 4-Iodo-D-phenylalanine62561-75-5

Elsewhere

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