Ethyl 2-Cyanopyridine-4-carboxylate - CAS 58481-14-4

Catalog:	BB030056
Product Name:	Ethyl 2-Cyanopyridine-4-carboxylate
CAS:	58481-14-4
Synonyms:	2-cyano-4-pyridinecarboxylic acid ethyl ester; ethyl 2-cyanopyridine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-cyanopyridine-4-carboxylate
Description:	2-Cyano-4-pyridinecarboxylic Acid Ethyl Ester, can be used in the synthesis of various pharmaceutical compounds, such as tuberculostatic drugs of the isonicotinic acid hydrazide type.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	CCOC(=O)C1=CC(=NC=C1)C#N
InChI:	InChI=1S/C9H8N2O2/c1-2-13-9(12)7-3-4-11-8(5-7)6-10/h3-5H,2H2,1H3
InChI Key:	HZIKYLAZZZSYKF-UHFFFAOYSA-N
MDL:	MFCD10574965
LogP:	1.12998

Publication Number	Title	Priority Date
CN-110698395-A	Preparation method of topiroxostat intermediate	20191022
CN-110698395-B	Preparation method of topiroxostat intermediate	20191022
WO-2013127268-A1	Amido-benzyl sulfone and sulfonamide derivatives	20120302
US-2014290746-A1	Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound	20111215
US-9564274-B2	Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound	20111215

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Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	63
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1