Ethyl 2-Chloro-4,6-dihydroxynicotinate - CAS 70180-38-0

Name: Ethyl 2-Chloro-4,6-dihydroxynicotinate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034091
Product Name:	Ethyl 2-Chloro-4,6-dihydroxynicotinate
CAS:	70180-38-0
Synonyms:	2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester; ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
Description:	Ethyl 2-Chloro-4,6-dihydroxynicotinate (CAS# 70180-38-0) is a useful research chemical.
Molecular Weight:	217.61
Molecular Formula:	C8H8ClNO4
Canonical SMILES:	CCOC(=O)C1=C(NC(=O)C=C1O)Cl
InChI:	InChI=1S/C8H8ClNO4/c1-2-14-8(13)6-4(11)3-5(12)10-7(6)9/h3H,2H2,1H3,(H2,10,11,12)
InChI Key:	XAMKYZWQQAAKRH-UHFFFAOYSA-N
LogP:	1.32290

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

Publication Number	Title	Priority Date
DE-60117839-T2	PYRIDINONE AND PYRIDINETHION DERIVATIVES WITH HIV-INHIBITORY PROPERTIES	20000919
EP-1318995-A2	Pyridinone and pyridinethione derivatives having hiv inhibiting properties	20000919
EP-1318995-B1	Pyridinone and pyridinethione derivatives having hiv inhibiting properties	20000919
US-2004229847-A1	Pyridinone and pyridinethione derivatives having hiv inhibiting properties	20000919
US-7115608-B2	Pyridinone and pyridinethione derivatives having HIV inhibiting properties	20000919

Complexity:	345
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.0141854
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.0141854
Rotatable Bond Count:	3
Topological Polar Surface Area:	75.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9