Cas no 52426-69-4 (3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI))
52426-69-4 structure
Product Name:3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI)
CAS No:52426-69-4
MF:C8H8N2O
MW:148.16192150116
CID:1020614
PubChem ID:45083630
Update Time:2025-04-20
3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI)
- 3-PYRIDINEACETONITRILE, 6-(HYDROXYMETHYL)-
- 52426-69-4
- SCHEMBL16682862
- DB-324632
-
- Inchi： 1S/C8H8N2O/c9-4-3-7-1-2-8(6-11)10-5-7/h1-2,5,11H,3,6H2
- InChI Key： SXOUAYJWHJCHQK-UHFFFAOYSA-N
- SMILES： OCC1C=CC(=CN=1)CC#N
Computed Properties
- Exact Mass: 148.063662883g/mol
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 161
- 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: -0.3
- Topological Polar Surface Area: 56.9?2
3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
52426-69-4 (3-Pyridineacetonitrile, 6-(hydroxymethyl)- (9CI)) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
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