3-Bromo-2-methoxypyridine

C₆H₆BrNOCAS 13472-59-8188.02 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₆BrNO
Molar mass: 188.02 g/mol
Exact mass: 186.9633 Da
Boiling point: 87 °C (at 16 Torr)
logP: 1.85Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

13472-59-8

SMILES

COc1ncccc1Br

InChIKey

PORGLLGXCAQORO-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/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-bromo-2-methoxy-

Work with 3-Bromo-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-Methoxy-3-pyridinamine20265-38-759 % similar 3-Iodo-2-methoxypyridine112197-15-657 % similar 2-Bromo-3-methoxypyridine24100-18-352 % similar 2-Methoxy-3-pyridinemethanol112197-16-752 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-552 % similar 2-Methoxy-3-pyridinecarbonitrile7254-34-452 % similar 3,5-Dibromo-2-methoxypyridine13472-60-150 % similar 2-Methoxynicotinic acid16498-81-049 % similar

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

Same formula

3-Amino-4-bromophenol100367-37-1 4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 4-Bromo-2-pyridinemethanol131747-45-0 5-Bromo-2-methoxypyridine13472-85-0

Elsewhere

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