2-Amino-3-bromo-5-fluoropyridine - CAS 869557-43-7

Catalog:	BB038143
Product Name:	2-Amino-3-bromo-5-fluoropyridine
CAS:	869557-43-7
Synonyms:	3-bromo-5-fluoropyridin-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-fluoropyridin-2-amine
Description:	2-Amino-3-bromo-5-fluoropyridine (CAS# 869557-43-7) is a reactant used in the synthesis of cyano heteroaryl bromides.
Molecular Weight:	191.00
Molecular Formula:	C5H4BrFN2
Canonical SMILES:	C1=C(C=NC(=C1Br)N)F
InChI:	InChI=1S/C5H4BrFN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
InChI Key:	KXSQMCRVUAALNE-UHFFFAOYSA-N
Boiling Point:	220 °C at 760 mmHg
Density:	1.813 g/cm³
Appearance:	Brown crystalline powder
MDL:	MFCD03092924
LogP:	2.14660

Publication Number	Title	Priority Date
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021110656-A1	Oga inhibitor compounds	20191202
WO-2021094312-A1	Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds	20191111
CN-112409385-A	Azaaryl compounds and uses thereof	20190822
WO-2021032004-A1	Azaheteroaryl compound and application thereof	20190822

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (95%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.95419
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.95419
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3