Cas no 638219-84-8 (2-Pyridinemethanol, 5-bromo-, 1-oxide)
638219-84-8 structure
Product Name:2-Pyridinemethanol, 5-bromo-, 1-oxide
CAS No:638219-84-8
MF:C6H6BrNO2
MW:204.021340847015
CID:1668231
PubChem ID:67299921
Update Time:2025-04-21
2-Pyridinemethanol, 5-bromo-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinemethanol, 5-bromo-, 1-oxide
- 5-Bromo-2-pyridinemethanol 1-oxide
- 5-Bromo-2-(hydroxymethyl)pyridine 1-oxide
- SCHEMBL2160030
- PPQCDICDXVSVSK-UHFFFAOYSA-N
- 638219-84-8
- DB-206807
- 5-Bromo-2-hydroxymethyl-pyridine-1-oxide
-
- Inchi： 1S/C6H6BrNO2/c7-5-1-2-6(4-9)8(10)3-5/h1-3,9H,4H2
- InChI Key： PPQCDICDXVSVSK-UHFFFAOYSA-N
- SMILES： BrC1C=CC(CO)=[N+](C=1)[O-]
Computed Properties
- Exact Mass: 202.95818
- Monoisotopic Mass: 202.95819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 112
- 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: 45.7?2
Experimental Properties
- PSA: 47.17
2-Pyridinemethanol, 5-bromo-, 1-oxide Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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