Methyl 2-pyridylacetate - CAS 1658-42-0

Catalog:	BB012222
Product Name:	Methyl 2-pyridylacetate
CAS:	1658-42-0
Synonyms:	methyl 2-pyridin-2-ylacetate

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Computed Properties

IUPAC Name:	methyl 2-pyridin-2-ylacetate
Description:	Methyl 2-pyridylacetate (CAS# 1658-42-0) is a useful research chemical.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	COC(=O)CC1=CC=CC=N1
InChI:	InChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChI Key:	ORAKNQSHWMHCEY-UHFFFAOYSA-N
Boiling Point:	103 °C (0.5 torr)
Purity:	95+ %
Density:	1.115 g/cm³
MDL:	MFCD00006358
LogP:	0.79710

Publication Number	Title	Priority Date
US-2021205311-A1	Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors	20200103
US-2021230294-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138498-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138512-A1	Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors	20200103
CN-111116576-A	Quinolizinone compound and preparation method thereof	20191201

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Related Functional Groups

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[1261365-99-4]
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[1202402-53-6]
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GHS Hazard Statement:	H315 (97.56%): 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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.063328530
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.063328530
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3