5-Bromo-3-iodo-pyridin-2-ol - CAS 381233-75-6

Catalog:	BB023539
Product Name:	5-Bromo-3-iodo-pyridin-2-ol
CAS:	381233-75-6
Synonyms:	5-bromo-3-iodo-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-iodo-1H-pyridin-2-one
Description:	5-Bromo-3-iodo-pyridin-2-ol (CAS# 381233-75-6) is a useful research chemical.
Molecular Weight:	299.89
Molecular Formula:	C5H3BrINO
Canonical SMILES:	C1=C(C(=O)NC=C1Br)I
InChI:	InChI=1S/C5H3BrINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChI Key:	WAUPPDAXWKLNNU-UHFFFAOYSA-N
Boiling Point:	316.3 °C at 760 mmHg
Density:	2.512 g/cm³
Appearance:	Pale yellow to beige powder
MDL:	MFCD08688586
LogP:	2.15430

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
WO-2021180966-A1	Bcl-2 family proteins modulating compounds for cancer treatment	20200313
WO-2021022078-A1	Dual atm and dna-pk inhibitors for use in anti-tumor therapy	20190730
CN-112300159-A	Dual ATM and DNA-PK inhibitors for use in antitumor therapy	20190730
WO-2019201283-A1	Dual atm and dna-pk inhibitors for use in anti-tumor therapy	20180420

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[14993-80-7]
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[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.84427
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	298.84427
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3