5-Bromo-3-cyano-2-hydroxypyridine

C₆H₃BrN₂OCAS 405224-22-8199.01 g/mol

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Aryl halide Nitrile

Properties

Molecular formula: C₆H₃BrN₂O
Molar mass: 199.01 g/mol
Exact mass: 197.9429 Da
logP: 1.01Crippen estimate
Polar surface area: 56.6 Å²
H-bond donors / acceptors: 1 / 2
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

405224-22-8

SMILES

C1=C(C(=O)NC=C1Br)C#N

InChIKey

SWTLLSLCDHXNIU-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)

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Names and synonyms

1 names

5-Bromo-2-hydroxypyridine-3-carbonitrile

Work with 5-Bromo-3-cyano-2-hydroxypyridine

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-3-iodopyridin-2-ol381233-75-655 % similar 5-Bromo-3-fluoro-1,2-dihydropyridin-2-one156772-63-350 % similar 5-Bromopyridine-2,3-diol34206-49-050 % similar 5-Bromo-3-chloro-2-hydroxypyridine58236-70-750 % similar 4-Bromophthalonitrile70484-01-450 % similar 5-Bromo-2-iodobenzonitrile121554-10-744 % similar 5-Bromo-2-methylbenzonitrile156001-51-341 % similar 5-Bromo-2-fluorobenzonitrile179897-89-341 % similar

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

Same formula

5-Bromo-2,1,3-benzoxadiazole51376-06-8

Elsewhere

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