Methyl 5-Chloro-2-pyrazinecarboxylate - CAS 33332-25-1

Catalog:	BB021668
Product Name:	Methyl 5-Chloro-2-pyrazinecarboxylate
CAS:	33332-25-1
Synonyms:	5-chloro-2-pyrazinecarboxylic acid methyl ester; methyl 5-chloropyrazine-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 5-chloropyrazine-2-carboxylate
Description:	Methyl 5-Chloro-2-pyrazinecarboxylate (CAS# 33332-25-1) is a useful research chemical.
Molecular Weight:	172.57
Molecular Formula:	C6H5ClN2O2
Canonical SMILES:	COC(=O)C1=CN=C(C=N1)Cl
InChI:	InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChI Key:	CVVMLRFXZPKILB-UHFFFAOYSA-N
Boiling Point:	242.8 °C at 760 mmHg
Density:	1.372 g/cm³
MDL:	MFCD01632102
LogP:	0.91660

Publication Number	Title	Priority Date
CN-111978312-A	5-aryl-1, 3, 4-thiadiazole/1, 3, 4-oxadiazole-2-amine compound and preparation method and application thereof	20200918
CN-113121509-A	JAK inhibitor compounds and uses thereof	20191230
WO-2021136345-A1	Jak inhibitor compound and use thereof	20191230
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
US-2021196710-A1	Compounds and methods for the targeted degradation of androgen receptor	20191219

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
7562923	19950929	Pyrazinoic acid esters with broad spectrum in vitro antimycobacterial activity	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0039551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0039551
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5