2-Iodo-3-methylpyridine

C₆H₆INCAS 22282-58-2219.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₆IN
Molar mass: 219.03 g/mol
Exact mass: 218.9545 Da
logP: 1.99Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22282-58-2

SMILES

CC1=C(N=CC=C1)I

InChIKey

PTBOOHAPESUXGV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6IN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3

Weigh it out

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

Work with 2-Iodo-3-methylpyridine

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

2,3-Lutidine583-61-956 % similar 2-Fluoro-3-methylpyridine2369-18-854 % similar 2-Hydroxy-3-methylpyridine1003-56-152 % similar 3-Methyl-2-phenylpyridine10273-90-252 % similar 3-Fluoro-2-iodopyridine146141-04-052 % similar 2-Amino-3-methylpyridine1603-40-352 % similar 2-Chloro-3-methylpyridine18368-76-852 % similar 2-Bromo-3-methylpyridine3430-17-952 % similar

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

Same formula

4-Iodoaniline540-37-4 2-Iodoaniline615-43-0 3-Iodoaniline626-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook