5-Bromo-3-cyano-2-hydroxypyridine

C₆H₃BrN₂OCAS 405224-22-8199.01 g/mol

Open in Covalent MOL file

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

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 4 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

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)

Weigh it out

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

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 3-Amino-5-bromo-pyridin-2-ol98786-86-850 % similar 5-Bromo-2-iodobenzonitrile121554-10-744 % similar 5-Bromo-2-methylbenzonitrile156001-51-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook