3-Iodo-2-methoxypyridine

C₆H₆INOCAS 112197-15-6235.02 g/mol

Open in Covalent MOL file

Aryl halide Ether

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

3-Bromo-2-methoxypyridine13472-59-857 % similar 2-Methoxy-3-pyridinamine20265-38-757 % similar 2-Methoxy-3-pyridinemethanol112197-16-750 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-550 % similar 2-Methoxy-3-pyridinecarbonitrile7254-34-450 % similar 2-Methoxynicotinic acid16498-81-047 % similar 2-Iodoanisole529-28-247 % similar 3-Methoxy-2(1H)-pyridinone20928-63-645 % 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