5-Bromo-2-chloro-4-(trifluoromethyl)pyridine

C₆H₂BrClF₃NCAS 823221-93-8260.44 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₂BrClF₃N
Molar mass: 260.44 g/mol
Exact mass: 258.9011 Da
logP: 3.52Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

823221-93-8

SMILES

C1=C(C(=CN=C1Cl)Br)C(F)(F)F

InChIKey

SYBSBIJPNQAETE-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrClF3N/c7-4-2-12-5(8)1-3(4)6(9,10)11/h1-2H

Weigh it out

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

Work with 5-Bromo-2-chloro-4-(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-Chloro-5-(trifluoromethyl)-4-pyridinamine1061358-78-854 % similar 2-Chloro-5-(trifluoromethyl)-4-iodopyridine505084-55-954 % similar 5-Bromo-2,4-dichloro-pyridine849937-96-853 % similar 5-Bromo-2-chloro-4-methylpyridine778611-64-650 % similar 4-Amino-5-bromo-2-chloropyridine857730-21-350 % similar 4-Bromo-2-chloro-5-fluoropyridine884495-10-750 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-049 % similar 3-Bromo-4-(trifluoromethyl)pyridine936841-70-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-3 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-7

Elsewhere

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