CAS 24662-37-1 | 1H-Indole-3-carbonitrile, 1-methyl- | CAS Number 24662-37-1

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24662-37-1 | 1H-Indole-3-carbonitrile, 1-methyl-

CAS No: 24662-37-1 Catalog No: AG002OZ2 MDL No:MFCD00466602

Product Description

Catalog Number:

AG002OZ2

Chemical Name:

1H-Indole-3-carbonitrile, 1-methyl-

CAS Number:

24662-37-1

Molecular Formula:

C10H8N2

Molecular Weight:

156.1839

MDL Number:

MFCD00466602

IUPAC Name:

1-methylindole-3-carbonitrile

InChI:

InChI=1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3

InChI Key:

FBAXZPMXGBNBPE-UHFFFAOYSA-N

SMILES:

N#Cc1cn(c2c1cccc2)C

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.188g/mol

Monoisotopic Mass:

156.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Low molecular weight indole fragments as IMPDH inhibitors.	Bioorganic & medicinal chemistry letters 20060501
Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships.	Bioorganic & medicinal chemistry letters 20060501