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Home > Indoles and Oxindole > 5457-28-3
5457-28-3 | 1H-Indole-3-carbonitrile
CAS No: 5457-28-3 Catalog No: AG0037OE MDL No:MFCD00022717
Product Description
Catalog Number:
AG0037OE
Chemical Name:
1H-Indole-3-carbonitrile
CAS Number:
5457-28-3
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00022717
IUPAC Name:
1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChI Key:
CHIFTAQVXHNVRW-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cccc2
NSC Number:
24935
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators. | Journal of medicinal chemistry 20110811 |
| Synthesis of novel indolyl-1,2,4-triazoles as potent and selective anticancer agents. | Chemical biology & drug design 20110301 |
| 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 |
| 3-cyanoindole-based inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships. | Bioorganic & medicinal chemistry letters 20031020 |
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