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89369-17-5 | 2-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-
CAS No: 89369-17-5 Catalog No: AG003YW0 MDL No:
Product Description
Catalog Number:
AG003YW0
Chemical Name:
2-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-
CAS Number:
89369-17-5
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-6-carbonitrile
InChI:
InChI=1S/C16H17N3/c17-11-14-5-3-4-9-19(14)10-8-13-12-18-16-7-2-1-6-15(13)16/h1-3,5-7,12,14,18H,4,8-10H2
InChI Key:
AMEOEDJGGWOYRO-UHFFFAOYSA-N
SMILES:
N#CC1C=CCCN1CCc1c[nH]c2c1cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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