Cas no 727736-64-3 (3-Pyridinol, 6-chloro-,1-oxide)
727736-64-3 structure
Product Name:3-Pyridinol, 6-chloro-,1-oxide
CAS No:727736-64-3
MF:C5H4ClNO2
MW:145.543760299683
CID:559044
PubChem ID:45079466
Update Time:2025-04-19
3-Pyridinol, 6-chloro-,1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinol, 6-chloro-,1-oxide
- 2-CHLORO-5-HYDROXYPYRIDINE 1-OXIDE
- 6-chloro-1-oxidopyridin-1-ium-3-ol
- 6-chloro-3-Pyridinol 1-oxide
- 2-Chloro-5-hydroxypyridine1-oxide
- 2-chloro-5-hydroxypyridin-1-ium-1-olate
- 6-Chloro-1-oxo-1lambda~5~-pyridin-3-ol
- AKOS015995103
- SCHEMBL1683940
- J-508845
- SB53785
- A866203
- 727736-64-3
- DTXSID90663704
-
- Inchi： 1S/C5H4ClNO2/c6-5-2-1-4(8)3-7(5)9/h1-3,8H
- InChI Key： CKBHOYNUAQHPHH-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=[N+]1[O-])O
Computed Properties
- Exact Mass: 144.99300
- Monoisotopic Mass: 144.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 101
- 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
- Topological Polar Surface Area: 45.7A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 45.69000
- LogP: 1.47410
3-Pyridinol, 6-chloro-,1-oxide Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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