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5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile

5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile - CAS 1292317-53-3

Catalog:	BB006974
Product Name:	5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile
CAS:	1292317-53-3
Synonyms:	5-(2-chloro-4-pyrimidinyl)-2-hydroxybenzonitrile; 5-(2-chloropyrimidin-4-yl)-2-hydroxybenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(2-chloropyrimidin-4-yl)-2-hydroxybenzonitrile
Description:	5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile (CAS# 1292317-53-3 ) is a useful research chemical.
Molecular Weight:	231.64
Molecular Formula:	C11H6ClN3O
Canonical SMILES:	C1=CC(=C(C=C1C2=NC(=NC=C2)Cl)C#N)O
InChI:	InChI=1S/C11H6ClN3O/c12-11-14-4-3-9(15-11)7-1-2-10(16)8(5-7)6-13/h1-5,16H
InChI Key:	NKHWXMGRHDHNQI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2012242777-A1	Compositions and therapeutic uses of IKK-related kinase epsilon and TANKbinding kinase 1 inhibitors	20110412
EP-2696683-A1	Compositions and therapeutic uses of ikk-related kinase epsilon and tankbinding kinase 1 inhibitors	20110412
JP-2014510794-A	Compositions and therapeutic uses of inhibitors of IKK-related kinase Îµ and TANK binding kinase 1	20110412
KR-20140048873-A	Compositions and Therapeutic Uses of IV-Related Kinases Epsilon and TANV Binding Kinase 1 Inhibitors	20110412
US-2014288044-A1	Compositions and therapeutic uses of ikk-related kinase epsilon and tankbinding kinase 1 inhibitors	20110412

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.0199395
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.0199395
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7