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

C6H2BrF4NCAS 1031929-01-7243.99 g/mol

Open in Covalent MOL file
NBrFFFF
Alkyl halideAryl halide

Properties

Molecular formula
C6H2BrF4N
Molar mass
243.99 g/mol
Exact mass
242.9307 Da
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1031929-01-7
SMILES
C1=C(C=NC(=C1Br)F)C(F)(F)F
InChIKey
HKACHYLUXHBYMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

Weigh it out

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

Work with 3-Bromo-2-fluoro-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)pyridine79623-38-465 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-663 % similar 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-361 % similar 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine79456-30-761 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-858 % similar 3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine124432-63-956 % similar 3,5-Dibromo-2-fluoropyridine473596-07-555 % similar 3-Bromo-2-fluoro-5-methylpyridine17282-01-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-9 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine89402-29-9

Elsewhere

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