1-Ethyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde - CAS 917391-96-9

Name: 1-Ethyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde
Brand: BOC Sciences
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Catalog:	BB055973
Product Name:	1-Ethyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CAS:	917391-96-9
Synonyms:	1-Ethyl-1,2-dihydro-2-oxo-3-pyridinecarboxaldehyde

Technical Data

IUPAC Name:	1-ethyl-2-oxopyridine-3-carbaldehyde
Description:	1-Ethyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde is a useful reagent for the preparation of 1,тАЛ2,тАЛ5,тАЛ6-Tetrahydro-тАЛ2-тАЛpyridinone derivatives as Thrombin inhibitors.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	CCN1C=CC=C(C1=O)C=O
InChI:	InChI=1S/C8H9NO2/c1-2-9-5-3-4-7(6-10)8(9)11/h3-6H,2H2,1H3
InChI Key:	WCLPHFRFJZGBKH-UHFFFAOYSA-N
Melting Point:	90 - 92°C
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Light Yellow Solid
Storage:	4°C, Inert atmosphere
References:	Nilsson, I., & Polla, M. PCT Int. Appl. (2006), WO 2006135323 A1.

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.06332853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4