Cas no 84596-18-9 (3-Pyridinecarbonitrile, 2-amino-6-methyl-5-phenyl-)
84596-18-9 structure
Product Name:3-Pyridinecarbonitrile, 2-amino-6-methyl-5-phenyl-
CAS No:84596-18-9
MF:C13H11N3
MW:209.246542215347
CID:666830
PubChem ID:13502862
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-amino-6-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-amino-6-methyl-5-phenyl-
- 2-amino-6-methyl-5-phenylpyridine-3-carbonitrile
- 84596-18-9
- SCHEMBL7292928
- DTXSID80542392
-
- Inchi： 1S/C13H11N3/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(15)16-9/h2-7H,1H3,(H2,15,16)
- InChI Key： JCZPGLIEVZTRQJ-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C=C(C=1C)C1C=CC=CC=1)N
Computed Properties
- Exact Mass: 209.095297364g/mol
- Monoisotopic Mass: 209.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 274
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 62.7?2
3-Pyridinecarbonitrile, 2-amino-6-methyl-5-phenyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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