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Home Nitriles 1-Methyl-1h-indole-3-carbonitrile

1-Methyl-1h-indole-3-carbonitrile

CAS No.:
24662-37-1
Catalog Number:
AG002OZ2
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG002OZ2
Chemical Name:
1-Methyl-1h-indole-3-carbonitrile
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
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
Properties