Pyridinium hydrobromide

C₅H₆BrNCAS 18820-82-1160.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆BrN
Molar mass: 160.01 g/mol
Exact mass: 158.9684 Da
Melting point: 155–156 °C
logP: 1.66Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed88.7% of notifiers
H312 Harmful in contact with skin77.4% of notifiers
H315 Causes skin irritation96.2% of notifiers
H319 Causes serious eye irritation94.3% of notifiers
H332 Harmful if inhaled77.4% of notifiers
H335 May cause respiratory irritation88.7% of notifiers

Aggregated from 53 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

18820-82-1

SMILES

Br.c1ccncc1

InChIKey

BBFCIBZLAVOLCF-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H

Weigh it out

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

Names and synonyms

6 names

Pyridine, hydrobromide (1:1)
Pyridine, hydrobromide
Pyridinium bromide
Pyridine, compd. with hydrogen bromide (1:1)
NSC 167065
NSC 620577

Work with Pyridinium hydrobromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridine110-86-1Free base Pyridine-D57291-22-7Free base, labelled Pyridinium chlorochromate26299-14-9Salt Pyridinium p-toluenesulfonate24057-28-1Salt Sulfur trioxide pyridine complex26412-87-3Salt Pyridinium chloride628-13-7Salt Poly(pyridine fluoride)62778-11-4Salt Pyridinium trifluoroacetate464-05-1Salt Hydrofluoric acid pyridine complex32001-55-1Salt Pyridine methanesulfonate39879-60-2Salt Pyridinium fluorochromate83042-08-4Salt Bis(pyridine)iodonium tetrafluoroborate15656-28-7Salt

Similar compounds

Cornforth reagent20039-37-643 % similar Pyrazine290-37-938 % similar Pyrimidine289-95-238 % similar 4-Phenylpyridine939-23-135 % similar Pyridazine289-80-533 % similar 4-(Bromomethyl)pyridine hbr73870-24-333 % similar 3-Phenylpyridine1008-88-430 % similar 4-Styrylpyridine103-31-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook