Ethyl 3,6-Dichloropyridine-2-carboxylate - CAS 253440-88-9

Catalog:	BB018872
Product Name:	Ethyl 3,6-Dichloropyridine-2-carboxylate
CAS:	253440-88-9
Synonyms:	3,6-dichloro-2-pyridinecarboxylic acid ethyl ester; ethyl 3,6-dichloropyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3,6-dichloropyridine-2-carboxylate
Description:	Ethyl 3,6-Dichloropyridine-2-carboxylate (CAS# 253440-88-9 ) is a useful research chemical.
Molecular Weight:	220.05
Molecular Formula:	C8H7Cl2NO2
Canonical SMILES:	CCOC(=O)C1=C(C=CC(=N1)Cl)Cl
InChI:	InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3
InChI Key:	YWFCLGHVIXWPPZ-UHFFFAOYSA-N
LogP:	2.56510

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:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.9853839
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.9853839
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3