5-Bromo-3-fluoro-1,2-dihydropyridin-2-one

C₅H₃BrFNOCAS 156772-63-3191.99 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₃BrFNO
Molar mass: 191.99 g/mol
Exact mass: 190.9382 Da
logP: 1.28Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

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 the 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

156772-63-3

SMILES

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

InChIKey

YBDFQCKEVWUHAP-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrFNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)

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Names and synonyms

1 names

5-Bromo-3-fluoro-2-pyridinone

Work with 5-Bromo-3-fluoro-1,2-dihydropyridin-2-one

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-Bromopyridine-2,3-diol34206-49-055 % similar 5-Bromo-3-iodopyridin-2-ol381233-75-655 % similar 5-Bromo-3-chloro-2-hydroxypyridine58236-70-755 % similar 3-Amino-5-bromo-pyridin-2-ol98786-86-855 % similar 5-Bromo-3-cyano-2-hydroxypyridine405224-22-850 % similar Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-144 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-241 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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