2,6-Dichloropyrimidine-4-carbonitrile - CAS 26293-93-6

Catalog:	BB019230
Product Name:	2,6-Dichloropyrimidine-4-carbonitrile
CAS:	26293-93-6
Synonyms:	2,6-dichloro-4-pyrimidinecarbonitrile; 2,6-dichloropyrimidine-4-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2,6-dichloropyrimidine-4-carbonitrile
Description:	2,6-Dichloropyrimidine-4-carbonitrile (CAS# 26293-93-6) is a useful research chemical.
Molecular Weight:	173.99
Molecular Formula:	C5HCl2N3
Canonical SMILES:	C1=C(N=C(N=C1Cl)Cl)C#N
InChI:	InChI=1S/C5HCl2N3/c6-4-1-3(2-8)9-5(7)10-4/h1H
InChI Key:	HLAOENZTDMPYNY-UHFFFAOYSA-N
Boiling Point:	289.321 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD16988336
LogP:	1.65508

Publication Number	Title	Priority Date
WO-2021163629-A1	Inhibitors of ulk1/2 and methods of using same	20200214
CN-111276620-A	Organic light emitting diode and organic light emitting device having the same	20181205
KR-20200068503-A	Organic light emitting diode and organic light emitting device having the diode	20181205
US-2020185616-A1	Organic light emitting diode and organic light emitting device having the same	20181205
WO-2019119206-A1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20171218

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.9547524
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.9547524
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2