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6-Hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile

6-Hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile - CAS 35441-10-2

Catalog:	BB022637
Product Name:	6-Hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS:	35441-10-2
Synonyms:	2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile; 2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
Description:	A metabolite of 1-Ethoxymethyl-5-fluorouracil (EM-FU), a fluorinated pyrimidine derived from 5-FU.
Molecular Weight:	136.11
Molecular Formula:	C6H4N2O2
Canonical SMILES:	C1=CC(=O)NC(=C1C#N)O
InChI:	InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
InChI Key:	BFHKYHMCIAMQIN-UHFFFAOYSA-N
Boiling Point:	330.8 °C at 760 mmHg
Density:	1.47 g/cm³
LogP:	-0.04782

Publication Number	Title	Priority Date
WO-2019229115-A1	Methods and pharmaceutical compositions for treating cancer	20180530
AU-2019276092-A1	Methods and pharmaceutical compositions for treating cancer	20180530
EP-3801513-A1	Methods and pharmaceutical compositions for treating cancer	20180530
JP-2021526161-A	Methods and pharmaceutical compositions for the treatment of cancer	20180530
US-2021213020-A1	Methods and pharmaceutical compositions for treating cancer	20180530

PMID	Publication Date	Title	Journal
7917366	19940101	Efficacy of a new 5-fluorouracil derivative, BOF-A2, in advanced non-small cell lung cancer. A multi-center phase II study	Acta oncologica (Stockholm, Sweden)

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.027277375
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.027277375
Rotatable Bond Count:	0
Topological Polar Surface Area:	73.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0