6-Methylindole-5-carbonitrile - CAS 1000343-22-5

Catalog:	BB000025
Product Name:	6-Methylindole-5-carbonitrile
CAS:	1000343-22-5
Synonyms:	6-methyl-1H-indole-5-carbonitrile; 6-methyl-1H-indole-5-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-1H-indole-5-carbonitrile
Description:	6-Methylindole-5-carbonitrile (CAS# 1000343-22-5) is a useful research chemical.
Molecular Weight:	156.18
Molecular Formula:	C10H8N2
Canonical SMILES:	CC1=CC2=C(C=CN2)C=C1C#N
InChI:	InChI=1S/C10H8N2/c1-7-4-10-8(2-3-12-10)5-9(7)6-11/h2-5,12H,1H3
InChI Key:	RKHWDANYXRMLOW-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.34798

Publication Number	Title	Priority Date
CN-111032641-A	Substituted 5-cyanoindole compounds and uses thereof	20170619
EP-3642195-A1	Substituted 5-cyanoindole compounds and uses thereof	20170619
TW-201904942-A	Substituted 5-cyanoguanidine compound and its use	20170619
US-10604502-B2	Substituted 5-cyanoindole compounds and uses thereof	20170619
US-2019023684-A1	Substituted 5-cyanoindole compounds and uses thereof	20170619

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Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.068748264
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	39.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1