5-Bromo-2-fluoropyridine-3-carboxaldehyde

C₆H₃BrFNOCAS 875781-15-0204.00 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₃BrFNO
Molar mass: 204.00 g/mol
Exact mass: 202.9382 Da
logP: 1.80Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

875781-15-0

SMILES

C1=C(C=NC(=C1C=O)F)Br

InChIKey

MUYVOGAJRCBWCY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2-fluoro-3-pyridinecarboxaldehyde

Work with 5-Bromo-2-fluoropyridine-3-carboxaldehyde

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-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-354 % similar 3,5-Dibromo-2-fluoropyridine473596-07-553 % similar 5-Bromo-2,3-difluoropyridine89402-44-853 % similar 5-Bromo-2-fluoro-3-methylpyridine29312-98-950 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-750 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-549 % similar 5-Bromo-2,3-difluoro-benzaldehyde633327-22-747 % similar 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-3-fluoro-2-pyridinecarboxaldehyde885267-36-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook