5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine

C₇H₅BrF₃NOCAS 1214377-42-0256.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₅BrF₃NO
Molar mass: 256.02 g/mol
Exact mass: 254.9507 Da
logP: 2.87Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1214377-42-0

SMILES

COC1=C(C=C(C=N1)Br)C(F)(F)F

InChIKey

ZIOFHXRZJCIBCO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3

Weigh it out

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

Work with 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine

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-fluoro-5-bromopyridine124432-70-858 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-758 % similar 3,5-Dibromo-2-methoxypyridine13472-60-157 % similar 5-Bromo-2-methoxy-3-methylpyridine760207-87-256 % similar 5-Bromo-3-iodo-2-methoxypyridine578007-66-654 % similar 5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-154 % similar 2-Methoxy-3-chloro-5-bromopyridine848366-28-954 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine124432-63-9 4-Bromo-2-(trifluoromethoxy)aniline175278-09-8 2-Bromo-4-(trifluoromethoxy)aniline175278-17-8 3-Bromo-4-(trifluoromethoxy)aniline191602-54-7 5-Bromo-2-(trifluoromethoxy)aniline886762-08-9 2-Bromo-5-(trifluoromethoxy)aniline887267-47-2

Elsewhere

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