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Home > Indoles and Oxindole > 827025-06-9
827025-06-9 | 1H-Indole, 7-(3-pyridinyl)-
CAS No: 827025-06-9 Catalog No: AG0051OL MDL No:
Product Description
Catalog Number:
AG0051OL
Chemical Name:
1H-Indole, 7-(3-pyridinyl)-
CAS Number:
827025-06-9
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
7-pyridin-3-yl-1H-indole
InChI:
InChI=1S/C13H10N2/c1-3-10-6-8-15-13(10)12(5-1)11-4-2-7-14-9-11/h1-9,15H
InChI Key:
DAGQJULETDDVJT-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1cccc2c1[nH]cc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Structure and hydrogen-bond vibrations of water complexes of azaaromatic compounds: 7-(3'-pyridyl)indole. | The journal of physical chemistry. A 20100311 |
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