4-Bromo-3-hydroxypyridine - CAS 161417-28-3

Catalog:	BB011743
Product Name:	4-Bromo-3-hydroxypyridine
CAS:	161417-28-3
Synonyms:	4-bromo-3-pyridinol; 4-bromopyridin-3-ol

Technical Data

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Computed Properties

IUPAC Name:	4-bromopyridin-3-ol
Description:	4-Bromo-3-hydroxypyridine (CAS# 161417-28-3) is a compound useful in organic synthesis.
Molecular Weight:	174.00
Molecular Formula:	C5H4BrNO
Canonical SMILES:	C1=CN=CC(=C1Br)O
InChI:	InChI=1S/C5H4BrNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
InChI Key:	YCVSFCXUHPVAFH-UHFFFAOYSA-N
Boiling Point:	316.2 °C at 760 mmHg
Density:	1.788 g/cm³
Appearance:	Solid
MDL:	MFCD03093021
LogP:	1.54970

Publication Number	Title	Priority Date
WO-2021133894-A1	Btk inhibitors	20191223
US-2021155636-A1	Substituted Macrocyclic Compounds and Related Methods of Treatment	20191125
WO-2021108628-A1	Substituted macrocyclic compounds and related methods of treatment	20191125
WO-2019183186-A1	Heterocyclic compounds comprising pyridine useful as modulators of il-12, il-23 and/or ifn alpha responses	20180322
CN-111936486-A	Pyridine-containing heterocyclic compounds useful as modulators of IL-12, IL-23, and/or IFN alpha response	20180322

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.94763
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.94763
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2