Cas no 31181-74-5 (5-bromo-2-Pyridinemethanol 2-acetate)
31181-74-5 structure
Product Name:5-bromo-2-Pyridinemethanol 2-acetate
CAS No:31181-74-5
MF:C8H8BrNO2
MW:230.058621406555
CID:2107654
PubChem ID:66893537
Update Time:2025-04-21
5-bromo-2-Pyridinemethanol 2-acetate Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-2-Pyridinemethanol 2-acetate
- 2-(acetoxymethyl)-5-bromopyridine
- DB-340738
- 2-acetoxymethyl-5-bromopyridine
- SCHEMBL1063890
- 31181-74-5
- WKCUXYCQTSQQCW-UHFFFAOYSA-N
-
- Inchi： 1S/C8H8BrNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3
- InChI Key： WKCUXYCQTSQQCW-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C=C1)COC(C)=O
Computed Properties
- Exact Mass: 228.97400
- Monoisotopic Mass: 228.97384Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 163
- 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: 1.3
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19000
- LogP: 1.90720
5-bromo-2-Pyridinemethanol 2-acetate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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