Methyl 5-Formylpyridine-2-carboxylate - CAS 55876-91-0

Catalog:	BB029208
Product Name:	Methyl 5-Formylpyridine-2-carboxylate
CAS:	55876-91-0
Synonyms:	5-formyl-2-pyridinecarboxylic acid methyl ester; methyl 5-formylpyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-formylpyridine-2-carboxylate
Description:	Methyl 5-Formylpyridine-2-carboxylate (CAS# 55876-91-0) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	COC(=O)C1=NC=C(C=C1)C=O
InChI:	InChI=1S/C8H7NO3/c1-12-8(11)7-3-2-6(5-10)4-9-7/h2-5H,1H3
InChI Key:	QOWOSLFJHTVONJ-UHFFFAOYSA-N
Boiling Point:	322.7 °C at 760 mmHg
Density:	1.249 g/cm³
LogP:	0.68070

Publication Number	Title	Priority Date
WO-2021041539-A2	Compounds and methods of use	20190828
US-2020299283-A1	Compounds and methods of use	20190227
WO-2020176757-A1	Compounds with ferroptosis inducing activity and methods of their use	20190227
US-11040964-B2	Compounds and methods of use	20190227
TW-202038941-A	Alkyl substituted compounds	20181228

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	3
Topological Polar Surface Area:	56.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5