3-Bromo-5-fluoro-2-methoxypyridine - CAS 884494-81-9

Catalog:	BB038864
Product Name:	3-Bromo-5-fluoro-2-methoxypyridine
CAS:	884494-81-9
Synonyms:	3-bromo-5-fluoro-2-methoxypyridine; 3-bromo-5-fluoro-2-methoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-fluoro-2-methoxypyridine
Description:	3-Bromo-5-fluoro-2-methoxypyridine (CAS# 884494-81-9) is a compound used in the synthesis of 5-Fluoro-2-methoxy-3-(2R)-2-pyrrolidinylpyridine (1213093-30-1).
Molecular Weight:	206.01
Molecular Formula:	C6H5BrFNO
Canonical SMILES:	COC1=C(C=C(C=N1)F)Br
InChI:	InChI=1S/C6H5BrFNO/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,1H3
InChI Key:	HSWCOAGQYSBFAK-UHFFFAOYSA-N
Boiling Point:	188.356 °C at 760 mmHg
Density:	1.621 g/cm³
MDL:	MFCD04972397
LogP:	1.99180

Publication Number	Title	Priority Date
CN-111875620-A	Pyrazolopyrimidine macrocyclic derivative and application thereof	20200928
CN-111875620-B	Pyrazolopyrimidine macrocyclic derivative and application thereof	20200928
CN-111777549-A	Synthesis process of 2-methoxy-3-bromo-5-fluoropyridine	20200707
WO-2021206955-A1	Macrocyclic compounds as kinases inhibitors and uses thereof	20200406
CN-113004305-A	Macrocyclic compounds, their preparation and use	20191219

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GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.95385
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.95385
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9