Cas no 100130-61-8 (N-(5-cyano-2-pyridinyl)-Acetamide)
100130-61-8 structure
Product Name:N-(5-cyano-2-pyridinyl)-Acetamide
CAS No:100130-61-8
MF:C8H7N3O
MW:161.160681009293
CID:1095807
PubChem ID:60757991
Update Time:2025-04-20
N-(5-cyano-2-pyridinyl)-Acetamide Chemical and Physical Properties
Names and Identifiers
-
- N-(5-cyano-2-pyridinyl)-Acetamide
- ACETAMIDE,N-(5-CYANO-2-PYRIDINYL)-
- N-(5-cyanopyridin-2-yl)acetamide
- 6-Acetamino-3-cyan-pyridin
- 6-acetylamino-nicotinonitrile
- ACMC-20m37t
- CTK0G9046
- N-(5-Cyano-pyridin-2-yl)-acetamide
- SureCN1430551
- SCHEMBL1430551
- 100130-61-8
- DTXSID10734001
- Acetamide, N-(5-cyano-2-pyridinyl)-
- SCYWJYZSYTVDIX-UHFFFAOYSA-N
- 6-Acetamino-pyridin-3-nitril
-
- MDL： MFCD11976448
- Inchi： 1S/C8H7N3O/c1-6(12)11-8-3-2-7(4-9)5-10-8/h2-3,5H,1H3,(H,10,11,12)
- InChI Key： SCYWJYZSYTVDIX-UHFFFAOYSA-N
- SMILES： O=C(C)NC1C=CC(C#N)=CN=1
Computed Properties
- Exact Mass: 161.05901
- Monoisotopic Mass: 161.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 0.1
- Topological Polar Surface Area: 65.8?2
Experimental Properties
- PSA: 65.78
- LogP: 1.56118
N-(5-cyano-2-pyridinyl)-Acetamide Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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