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

C10H13IN2OCAS 113975-31-8304.13 g/mol

Open in Covalent MOL file
OHNNI
AmideAryl 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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)

Weigh it out

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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

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-562 % similar 2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-855 % similar 2-(N-Boc-Amino)-3-methylpyridine138343-75-642 % similar 2-(Pivalamido)phenylboronic Acid146140-95-638 % similar (2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-936 % similar 3-Iodo-2-methoxypyridine112197-15-636 % similar 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one34552-04-036 % similar 3-Iodopyridin-2-amine104830-06-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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