3-Amino-5-bromopyridin-4-ol - CAS 101084-20-2

Catalog:	BB000433
Product Name:	3-Amino-5-bromopyridin-4-ol
CAS:	101084-20-2
Synonyms:	3-amino-5-bromo-1H-pyridin-4-one

Technical Data

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Computed Properties

IUPAC Name:	3-amino-5-bromo-1H-pyridin-4-one
Description:	3-Amino-5-bromopyridin-4-ol (CAS# 101084-20-2) is a useful research chemical.
Molecular Weight:	189.01
Molecular Formula:	C5H5BrN2O
Canonical SMILES:	C1=C(C(=O)C(=CN1)Br)N
InChI:	InChI=1S/C5H5BrN2O/c6-3-1-8-2-4(7)5(3)9/h1-2H,7H2,(H,8,9)
InChI Key:	DMZVRJHJGBNINH-UHFFFAOYSA-N
MDL:	MFCD08692340
LogP:	1.71310

Publication Number	Title	Priority Date
US-2021107921-A1	Heterocyclic compounds	20190923
WO-2021058416-A1	Heterocyclic compounds	20190923
CN-111032641-A	Substituted 5-cyanoindole compounds and uses thereof	20170619
EP-3642195-A1	Substituted 5-cyanoindole compounds and uses thereof	20170619
TW-201904942-A	Substituted 5-cyanoguanidine compound and its use	20170619

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Related Functional Groups

Pyridines

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[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.95853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6