Diethyl 3,5-Pyridinedicarboxylate - CAS 4591-56-4

Catalog:	BB026015
Product Name:	Diethyl 3,5-Pyridinedicarboxylate
CAS:	4591-56-4
Synonyms:	pyridine-3,5-dicarboxylic acid diethyl ester; diethyl pyridine-3,5-dicarboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl pyridine-3,5-dicarboxylate
Description:	Diethyl 3,5-Pyridinedicarboxylate (CAS# 4591-56-4) is a useful research chemical.
Molecular Weight:	223.23
Molecular Formula:	C11H13NO4
Canonical SMILES:	CCOC(=O)C1=CC(=CN=C1)C(=O)OCC
InChI:	InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChI Key:	PGGQCHVPWSXPSI-UHFFFAOYSA-N
Boiling Point:	300.5 °C at 760 mmHg
Density:	1.165 g/cm³
Appearance:	Off-white crystalline powder
MDL:	MFCD00085755
LogP:	1.43500

Publication Number	Title	Priority Date
CN-107556192-A	A kind of method for synthesizing 2,2 difluoro ethyl hexanoates	20171027
CN-111032651-A	Heterocyclic compounds	20170731
EP-3250556-B1	Processes for the preparation of compounds, such as 3-arylbutanals, useful in the synthesis of medetomidine	20150130
WO-2016120635-A1	Processes for the preparation of compounds, such as 3-arylbutanals, useful in the synthesis of medetomidine	20150130
AU-2008253512-A1	Bicyclic heteroaromatic compounds as inhibitors of stearoyl-coenzyme A delta-9 desaturase	20070523

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0844579
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.0844579
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3