Ethyl 2-Aminopyridine-5-carboxylate - CAS 39658-41-8

Catalog:	BB024078
Product Name:	Ethyl 2-Aminopyridine-5-carboxylate
CAS:	39658-41-8
Synonyms:	6-amino-3-pyridinecarboxylic acid ethyl ester; ethyl 6-aminopyridine-3-carboxylate

Technical Data

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Patents

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Computed Properties

IUPAC Name:	ethyl 6-aminopyridine-3-carboxylate
Description:	Ethyl 2-Aminopyridine-5-carboxylate (CAS# 39658-41-8) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CCOC(=O)C1=CN=C(C=C1)N
InChI:	InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H2,9,10)
InChI Key:	FIKVWPJKNMTBBD-UHFFFAOYSA-N
Boiling Point:	314.7 °C at 760 mmHg
Density:	1.192 g/cm³
MDL:	MFCD04972544
LogP:	1.42170

Publication Number	Title	Priority Date
CN-113429342-A	Synthesis method of pexidaltinib intermediate	20210729
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
US-2020299282-A1	Compounds and methods for treating cancer	20190320
WO-2020054670-A1	Novel heteroaromatic amide derivative and medicine containing same	20180910
JP-WO2020054670-A1	New heteroaromatic amide derivatives and pharmaceuticals containing them	20180910

PMID	Publication Date	Title	Journal
23899349	20130912	Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283	Journal of medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2