6-Methylindazole-5-carbonitrile - CAS 259537-71-8

Catalog:	BB019078
Product Name:	6-Methylindazole-5-carbonitrile
CAS:	259537-71-8
Synonyms:	6-methyl-1H-indazole-5-carbonitrile; 6-methyl-1H-indazole-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methyl-1H-indazole-5-carbonitrile
Description:	6-Methylindazole-5-carbonitrile (CAS# 259537-71-8) is a useful research chemical.
Molecular Weight:	157.17
Molecular Formula:	C9H7N3
Canonical SMILES:	CC1=CC2=C(C=C1C#N)C=NN2
InChI:	InChI=1S/C9H7N3/c1-6-2-9-8(5-11-12-9)3-7(6)4-10/h2-3,5H,1H3,(H,11,12)
InChI Key:	SVYPSKBAEHNFHU-UHFFFAOYSA-N
LogP:	1.74298

Publication Number	Title	Priority Date
EP-2513095-A1	Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate 1 (s1p1) receptor agonists	20091218
US-2012283297-A1	Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate 1 (s1p1) receptor agonists	20091218
WO-2011072488-A1	Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate 1 (s1p1) receptor agonists	20091218
US-6417203-B1	Antithrombotic agents	19990811
CA-2280279-C	Indole, indazole and benzimidazole derivatives as antithrombotic agents	19980814

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Nitrogen Compounds

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[158387-00-9]
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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.063997236
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6