5-Bromo-2-methoxypyridine-3-carbaldehyde

C₇H₆BrNO₂CAS 103058-87-3216.03 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₇H₆BrNO₂
Molar mass: 216.03 g/mol
Exact mass: 214.9582 Da
logP: 1.67Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103058-87-3

SMILES

COC1=C(C=C(C=N1)Br)C=O

InChIKey

VRNOWEKCASDTFG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-methoxy-pyridine-3-carbaldehyde

Work with 5-Bromo-2-methoxypyridine-3-carbaldehyde

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

5-Fluoro-2-methoxynicotinaldehyde351410-62-362 % similar 3,5-Dibromo-2-methoxypyridine13472-60-157 % similar 5-Bromo-2-methoxy-3-methylpyridine760207-87-256 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-854 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-754 % similar 5-Bromo-3-iodo-2-methoxypyridine578007-66-654 % similar 2-Methoxy-3-chloro-5-bromopyridine848366-28-954 % similar 5-Bromo-2-fluoropyridine-3-carboxaldehyde875781-15-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrobenzyl bromide100-11-8 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 Methyl 6-bromopyridine-3-carboxylate26218-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook