Methyl 5-Formylpyrazine-2-carboxylate - CAS 710322-57-9

Catalog:	BB034294
Product Name:	Methyl 5-Formylpyrazine-2-carboxylate
CAS:	710322-57-9
Synonyms:	5-formyl-2-pyrazinecarboxylic acid methyl ester; methyl 5-formylpyrazine-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 5-formylpyrazine-2-carboxylate
Description:	Methyl 5-Formylpyrazine-2-carboxylate (CAS# 710322-57-9) is a useful research chemical.
Molecular Weight:	166.13
Molecular Formula:	C7H6N2O3
Canonical SMILES:	COC(=O)C1=NC=C(N=C1)C=O
InChI:	InChI=1S/C7H6N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-4H,1H3
InChI Key:	KNAAFIKYVYERNG-UHFFFAOYSA-N
MDL:	MFCD12755910
LogP:	0.07570

Publication Number	Title	Priority Date
WO-2020166680-A1	7h-pyrrolo[2,3-d]pyrimidine-4-amine derivative	20190215
KR-20210116598-A	7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives	20190215
WO-2020138499-A1	Alkyl-substituted compound	20181228
AU-2016293444-A1	Substituted tricyclics and method of use	20150716
AU-2016293444-B2	Substituted tricyclics and method of use	20150716

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Related Functional Groups

Carbonyl Compounds

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[5650-34-0]
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DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[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:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03784206
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.03784206
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7