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Ethyl 3-Chloro-6-cyanopyridine-2-carboxylate

Ethyl 3-Chloro-6-cyanopyridine-2-carboxylate - CAS 1436504-94-7

Catalog:	BB009640
Product Name:	Ethyl 3-Chloro-6-cyanopyridine-2-carboxylate
CAS:	1436504-94-7
Synonyms:	3-chloro-6-cyano-2-pyridinecarboxylic acid ethyl ester; ethyl 3-chloro-6-cyanopyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-chloro-6-cyanopyridine-2-carboxylate
Description:	Ethyl 3-Chloro-6-cyanopyridine-2-carboxylate (CAS# 1436504-94-7 ) is a useful research chemical.
Molecular Weight:	210.62
Molecular Formula:	C9H7ClN2O2
Canonical SMILES:	CCOC(=O)C1=C(C=CC(=N1)C#N)Cl
InChI:	InChI=1S/C9H7ClN2O2/c1-2-14-9(13)8-7(10)4-3-6(5-11)12-8/h3-4H,2H2,1H3
InChI Key:	MXRGLEBNKYIPJP-UHFFFAOYSA-N
LogP:	1.78338

Publication Number	Title	Priority Date
WO-2021005222-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20190711
EP-3515914-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
TW-201825487-A	Novel 5 or 8-substituted imidazo[1,5-a]pyridine as a selective inhibitor of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20160924
US-2020024273-A1	NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1,5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2,3-DIOXYGENASES	20160924
WO-2018054365-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924

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Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0196052
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.0196052
Rotatable Bond Count:	3
Topological Polar Surface Area:	63
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1