1,2-Dihydro-2-oxopyridine-3-carbonitrile - CAS 20577-27-9

Catalog:	BB016076
Product Name:	1,2-Dihydro-2-oxopyridine-3-carbonitrile
CAS:	20577-27-9
Synonyms:	2-oxo-1H-pyridine-3-carbonitrile; 2-oxo-1H-pyridine-3-carbonitrile

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Computed Properties

IUPAC Name:	2-oxo-1H-pyridine-3-carbonitrile
Description:	1,2-Dihydro-2-oxopyridine-3-carbonitrile (CAS# 20577-27-9) is a compound useful in organic synthesis.
Molecular Weight:	120.11
Molecular Formula:	C6H4N2O
Canonical SMILES:	C1=CNC(=O)C(=C1)C#N
InChI:	InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChI Key:	DYUMBFTYRJMAFK-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Density:	1.27 g/cm³
MDL:	MFCD07363805
LogP:	0.24658

Publication Number	Title	Priority Date
WO-2021064141-A1	Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b	20191002
WO-2021053495-A1	Bifunctional degraders and their methods of use	20190916
WO-2021055295-A1	Brd9 bifunctional degraders and their methods of use	20190916
WO-2019170796-A1	Use of sphingosine-1-phosphate signal transduction modulators	20180309
EP-3495348-A1	Guanidine derivative and use thereof for medical purposes	20160729

PMID	Publication Date	Title	Journal
22530888	20120501	CoMFA and CoMSIA studies of 1,2-dihydropyridine derivatives as anticancer agents	Medicinal chemistry (Shariqah (United Arab Emirates))
22228512	20120211	Absorption enhancement of oligothiophene dyes through the use of a cyanopyridone acceptor group in solution-processed organic solar cells	Chemical communications (Cambridge, England)
22057085	20120101	5α-reductase inhibitors, antiviral and anti-tumor activities of some steroidal cyanopyridinone derivatives	International journal of biological macromolecules
19157466	20090101	Cyanogenic and non-cyanogenic pyridone glucosides from Acalypha indica (Euphorbiaceae)	Phytochemistry
15715164	20040701	Genotoxic activity of newly synthesized derivatives of cyano-pyridone in murine cells in vivo and in vitro	TSitologiia i genetika

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.032362755
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1