CAS 55717-40-3 2-Bromo-5-hydroxypyridine (HCID 2762865)

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Basic information

CAS: 55717-40-3
Standard SMILES: Oc1ccc(Br)nc1
InChIKey: PTEFNEALEPSHLC-UHFFFAOYSA-N
Molecular formula: C5H4BrNO
Average molar mass: 174 g/mol
Monoisotopic mass: 172.94762585

Names & identifiers

Preferred name: 2-Bromo-5-hydroxypyridine
IUPAC: 6-bromopyridin-3-ol
English name: 2-Bromo-5-hydroxypyridine radical ion(1+)
Molecular formula: C5H4BrNO
Molecular weight: 174

Names & synonyms

2-Bromo-5-hydroxypyridine55717-45-8RefChem:466851676-372-96-Bromopyridin-3-ol55717-40-36-Bromo-3-pyridinol6-bromo-3-hydroxypyridineMFCD041141843-hydroxy-6-bromopyridine2-bromo-5-hydroxy-pyridine6-Bromopyridin-3-ol (radical ion(1+))

Show more names

2-BroMo-5-hydroxypyr2-BROMO-5-HYDROXYPYRIDINE(RS20006810)2-Bromo-5-hydroxypyridine radical ion(1+) ISO 9001：2015 REACH

SY0032373-PYRIDINOL, 6-BROMO-2-Bromo-5-hydroxypyridine radical ion(1+)5-Hydroxy-2-bromopyridine2-bromo-5-hydroxy pyridineSCHEMBL1486206-BROMO-PYRIDIN-3-OLSCHEMBL3709047

Database identifiers

CAS: 55717-40-3、55717-45-8
PubChem CID: 2762865
DTXSID: DTXSID80971087
ChEMBL: CHEMBL3236917
EC Number: 676-372-9
Nikkaji: J2.142.725J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

InChI: InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKey: PTEFNEALEPSHLC-UHFFFAOYSA-N
SMILES: N1C=C(C=CC=1Br)O

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.