Diethyl 4-Iodopyridine-2,6-dicarboxylate - CAS 120491-90-9

Catalog:	BB004899
Product Name:	Diethyl 4-Iodopyridine-2,6-dicarboxylate
CAS:	120491-90-9
Synonyms:	4-iodopyridine-2,6-dicarboxylic acid diethyl ester; diethyl 4-iodopyridine-2,6-dicarboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl 4-iodopyridine-2,6-dicarboxylate
Description:	Diethyl 4-Iodopyridine-2,6-dicarboxylate (CAS# 120491-90-9 ) is a useful research chemical.
Molecular Weight:	349.12
Molecular Formula:	C11H12INO4
Canonical SMILES:	CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)I
InChI:	InChI=1S/C11H12INO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChI Key:	OPCIHVVDMSLUOK-UHFFFAOYSA-N
Boiling Point:	417.2 °C at 760 mmHg
Density:	1.635 g/cm³
LogP:	2.03960

Publication Number	Title	Priority Date
CN-110872289-A	Novel 8-substituted imidazo [1,5-a ] pyridines as IDO1 and/or TDO inhibitors	20150410
EP-3280715-A1	NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20150410
JP-2018514518-A	Novel 5 or 8-substituted imidazo [1,5-a] pyridines and / or tryptophan 2,3-dioxygenase as indoleamine	20150410
KR-20170137165-A	A novel 5 or 8-substituted imidazo [1,5-a] pyridine as indole amine and / or tryptophan 2,3-dioxygenase	20150410
TW-201706270-A	Novel 5- or 8-substituted imidazo[1,5-a]pyridine as a guanamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase inhibitor	20150410

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	348.98111
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	348.98111
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6