2-Bromo-5-methoxy-4-pyridinamine - CAS 1417644-40-6

Catalog:	BB009233
Product Name:	2-Bromo-5-methoxy-4-pyridinamine
CAS:	1417644-40-6
Synonyms:	2-bromo-5-methoxy-4-pyridinamine; 2-bromo-5-methoxypyridin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-methoxypyridin-4-amine
Description:	2-Bromo-5-methoxy-4-pyridinamine (CAS# 1417644-40-6) is a useful research chemical.
Molecular Weight:	203.04
Molecular Formula:	C6H7BrN2O
Canonical SMILES:	COC1=CN=C(C=C1N)Br
InChI:	InChI=1S/C6H7BrN2O/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3,(H2,8,9)
InChI Key:	ZMXFLZUNHINXLA-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.01610

Publication Number	Title	Priority Date
WO-2020200900-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders	20190329
TW-202102501-A	Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders	20190329
EP-3458066-A1	Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators	20160516
US-2019307753-A1	Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators	20160516
WO-2017200825-A1	Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators	20160516

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Related Functional Groups

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[202288-73-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P264, P270, P273, P281, P301+P312, P308+P313, P330, P405, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.97418
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.97418
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2