Cas no 1780524-63-1 ((5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL)
![(5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL structure](https://ossimg.kuujia.com/scimg/1781000/1780524-63-1x500.png)
1780524-63-1 structure
Product Name:(5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL
CAS No:1780524-63-1
MF:C8H7FN2O
MW:166.152384996414
CID:5746266
PubChem ID:84765027
Update Time:2023-11-11
(5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL Chemical and Physical Properties
Names and Identifiers
-
- {5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl}methanol
- 1780524-63-1
- (5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL
- AKOS024197824
- CID 84765027
- 1H-Pyrrolo[2,3-b]pyridine-2-methanol, 5-fluoro-
-
- Inchi： 1S/C8H7FN2O/c9-6-1-5-2-7(4-12)11-8(5)10-3-6/h1-3,12H,4H2,(H,10,11)
- InChI Key： BWBQCCOCUZFMJP-UHFFFAOYSA-N
- SMILES： FC1=CN=C2C(=C1)C=C(CO)N2
Computed Properties
- Exact Mass: 166.05424101g/mol
- Monoisotopic Mass: 166.05424101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 0.6
- Topological Polar Surface Area: 48.9?2
Experimental Properties
- Density: 1.468±0.06 g/cm3(Predicted)
- pka: 12.95±0.40(Predicted)
(5-FLUORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)METHANOL Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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