2-Chloro-4-iodo-3-methylpyridine

C₆H₅ClINCAS 153034-88-9253.47 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₅ClIN
Molar mass: 253.47 g/mol
Exact mass: 252.9155 Da
logP: 2.65Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation15.6% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 45 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

153034-88-9

SMILES

Cc1c(I)ccnc1Cl

InChIKey

WHCRABJNJRAJIP-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClIN/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names

Pyridine, 2-chloro-4-iodo-3-methyl-
2-Chloro-4-iodo-3-picoline

Work with 2-Chloro-4-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

2,4-Dichloro-3-methylpyridine132097-09-759 % similar 2-Chloro-3-fluoro-4-iodopyridine148639-07-055 % similar 2-Chloro-4-iodonicotinonitrile1171919-75-750 % similar 2-Chloro-4-iodopyridine-3-carbaldehyde153034-90-350 % similar 3-Bromo-2-chloro-4-methylpyridine55404-31-450 % similar 2-Chloro-3-iodopyridine78607-36-050 % similar 2-Chloro-4-iodopyridine-3-methanol884494-44-450 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-iodobenzenamine135050-44-1 6-Chloro-3-iodo-2-methylpyridine249291-79-0 2-Chloro-4-iodobenzenamine42016-93-3 4-Chloro-2-iodoaniline63069-48-7 5-Chloro-2-iodobenzenamine6828-35-9 3-Chloro-2-iodoaniline70237-25-1 2-Chloro-6-iodoaniline84483-28-3

Elsewhere

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