Methyl 5-Methoxypyrazine-2-carboxylate - CAS 38789-75-2

Catalog:	BB023762
Product Name:	Methyl 5-Methoxypyrazine-2-carboxylate
CAS:	38789-75-2
Synonyms:	5-methoxy-2-pyrazinecarboxylic acid methyl ester; methyl 5-methoxypyrazine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-methoxypyrazine-2-carboxylate
Description:	Methyl 5-Methoxypyrazine-2-carboxylate (CAS# 38789-75-2) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	COC1=NC=C(N=C1)C(=O)OC
InChI:	InChI=1S/C7H8N2O3/c1-11-6-4-8-5(3-9-6)7(10)12-2/h3-4H,1-2H3
InChI Key:	AZXXFTKAVQJXCU-UHFFFAOYSA-N
Boiling Point:	259.9 °C at 760 mmHg
Density:	1.22 g/cm³
LogP:	-0.04200

Publication Number	Title	Priority Date
WO-2020200316-A1	Pyrazolopyridine compound as ret inhibitor and application thereof	20190403
WO-2020079039-A1	4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament	20181017
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220
US-2019194189-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220
WO-2019121885-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220

PMID	Publication Date	Title	Journal
8765523	19960816	Quantitative structure-activity relationships for the in vitro antimycobacterial activity of pyrazinoic acid esters	Journal of medicinal chemistry

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2