Methyl 2-Pyrimidinecarboxylate - CAS 34253-03-7

Catalog:	BB022029
Product Name:	Methyl 2-Pyrimidinecarboxylate
CAS:	34253-03-7
Synonyms:	2-pyrimidinecarboxylic acid methyl ester; methyl pyrimidine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl pyrimidine-2-carboxylate
Description:	Methyl 2-Pyrimidinecarboxylate (CAS# 34253-03-7) is a useful research chemical.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	COC(=O)C1=NC=CC=N1
InChI:	InChI=1S/C6H6N2O2/c1-10-6(9)5-7-3-2-4-8-5/h2-4H,1H3
InChI Key:	JOQJEWAXHQDQAG-UHFFFAOYSA-N
Boiling Point:	251.3 °C at 760 mmHg
Density:	1.213 g/cm³
MDL:	MFCD03426929
LogP:	0.26320

Publication Number	Title	Priority Date
WO-2021023662-A1	Pyrazolo[4,3-c]pyridine compounds for use in the treatment of hbv infection	20190802
WO-2020239077-A1	Nitrogen-containing heterocyclic derivative regulator, preparation method therefor and application thereof	20190529
WO-2020073011-A1	Compounds and compositions for treating conditions associated with apj receptor activity	20181005
TW-202028210-A	Compounds and compositions for treating conditions associated with apj receptor activity	20181005
CN-113490668-A	Compounds and compositions for treating diseases associated with APJ receptor activity	20181005

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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
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7