Cas no 50905-99-2 (3-PYRIDINECARBONITRILE, 4,6-DIAMINO-2-CHLORO-)
50905-99-2 structure
Product Name:3-PYRIDINECARBONITRILE, 4,6-DIAMINO-2-CHLORO-
CAS No:50905-99-2
MF:C6H5ClN4
MW:168.583698987961
CID:3298404
PubChem ID:21388965
Update Time:2025-04-21
3-PYRIDINECARBONITRILE, 4,6-DIAMINO-2-CHLORO- Chemical and Physical Properties
Names and Identifiers
-
- 3-PYRIDINECARBONITRILE, 4,6-DIAMINO-2-CHLORO-
- 50905-99-2
- SCHEMBL11647730
- 4,6-Diamino-2-chloronicotinonitrile
-
- Inchi： 1S/C6H5ClN4/c7-6-3(2-8)4(9)1-5(10)11-6/h1H,(H4,9,10,11)
- InChI Key： UGAMQEFGPSGPLU-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC(N)=CC(N)=C1C#N
Computed Properties
- Exact Mass: 168.0202739Da
- Monoisotopic Mass: 168.0202739Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 1.1
- Topological Polar Surface Area: 88.7?2
3-PYRIDINECARBONITRILE, 4,6-DIAMINO-2-CHLORO- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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