2-Amino-3-bromo-5-(trifluoromethyl)-pyridine

C₆H₄BrF₃N₂CAS 79456-30-7241.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrF₃N₂
Molar mass: 241.01 g/mol
Exact mass: 239.9510 Da
logP: 2.45Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled82.4% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 34 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79456-30-7

SMILES

C1=C(C=NC(=C1Br)N)C(F)(F)F

InChIKey

KBNACDZKKVMULE-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)

Weigh it out

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

Names and synonyms

1 names

3-Bromo-5-(trifluoromethyl)pyridin-2-amine

Work with 2-Amino-3-bromo-5-(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

2,3-Dibromo-5-(trifluoromethyl)pyridine79623-38-463 % similar 3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-761 % similar 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-359 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-159 % similar 3-Bromo-5-fluoro-2-pyridinamine869557-43-755 % similar 3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine124432-63-954 % similar 3,5-Dibromo-2-pyridylamine35486-42-153 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-1 5-Bromo-6-trifluoromethyl-pyridin-2-ylamine882500-21-2 5-Bromo-4-(trifluoromethyl)pyridin-2-amine944401-56-3

Elsewhere

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