N-(3-Iodopyridin-2-yl)-2,2-dimethylpropanamide

C₁₀H₁₃IN₂OCAS 113975-31-8304.13 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₁₀H₁₃IN₂O
Molar mass: 304.13 g/mol
Exact mass: 304.0073 Da
logP: 2.67Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

113975-31-8

SMILES

CC(C)(C)C(=O)NC1=C(C=CC=N1)I

InChIKey

WHHVZQZQGUTYJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)

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Names and synonyms

1 names

N-(3-Iodo-pyridin-2-yl)-2,2-dimethyl-propionamide

Work with N-(3-Iodopyridin-2-yl)-2,2-dimethylpropanamide

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

3-Iodo-2-methoxypyridine112197-15-636 % similar 3-Iodopyridin-2-amine104830-06-035 % similar 2-Fluoro-3-iodopyridine113975-22-735 % similar 6-Amino-2,2-dimethyl-2H-pyrido[3,2-B][1,4]oxazin-3(4H)-one1002726-62-634 % similar 3-Methylpicolinic acid4021-07-230 % similar

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

Elsewhere

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