chempirical

4-Bromo-2-methylpyridine

C6H6BrNCAS 22282-99-1172.02 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C6H6BrN
Molar mass
172.02 g/mol
Exact mass
170.9684 Da
logP
2.15Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22282-99-1
SMILES
CC1=NC=CC(=C1)Br
InChIKey
JFBMFWHEXBLFCR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3

Weigh it out

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Work with 4-Bromo-2-methylpyridine

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

4,4′-Dibromo-2,2′-bipyridine18511-71-256 % similar 2,4-Lutidine108-47-454 % similar 2,4-Dibromopyridine58530-53-354 % similar 4-Bromo-2-methoxypyridine100367-39-350 % similar 4-Bromo-2-fluoropyridine128071-98-750 % similar 4-Chloro-2-methylpyridine3678-63-550 % similar 4-Bromo-2-chloropyridine73583-37-650 % similar 4-Fluoro-2-methylpyridine766-16-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-3-methylpyridine10168-00-0 4-Bromoaniline106-40-1 5-Bromo-2-methylpyridine3430-13-5 3-Bromo-5-methylpyridine3430-16-8 2-Bromo-3-methylpyridine3430-17-9 3-Bromo-4-methylpyridine3430-22-6 2-Bromo-5-methylpyridine3510-66-5 3-Bromo-2-methylpyridine38749-79-0

Elsewhere

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