3-Iodo-2-methoxypyridine

C6H6INOCAS 112197-15-6235.02 g/mol

Open in Covalent MOL file
ONI
Aryl halideEther

Properties

Molecular formula
C6H6INO
Molar mass
235.02 g/mol
Exact mass
234.9494 Da
Melting point
66 °C
Boiling point
85 °C (at 3 Torr)
logP
1.69Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 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
112197-15-6
SMILES
COc1ncccc1I
InChIKey
BXCHJERCAUZLOE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6INO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pyridine, 3-iodo-2-methoxy-

Work with 3-Iodo-2-methoxypyridine

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-Dimethoxypyridine52605-97-759 % similar 3-Bromo-2-methoxypyridine13472-59-857 % similar 2-Methoxy-3-pyridinamine20265-38-757 % similar 3-Fluoro-2-methoxypyridine884494-69-357 % similar 3-Chloro-2-methoxypyridine13472-84-955 % similar 2-Methoxy-3-pyridinemethanol112197-16-750 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-550 % similar 4-Iodo-2-methoxynicotinaldehyde158669-26-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-6-methyl-3-pyridinol23003-30-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook