Cas no 720720-30-9 (2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester)
720720-30-9 structure
Product Name:2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester
CAS No:720720-30-9
MF:C11H9N3O2
MW:215.208061933517
CID:1752579
PubChem ID:23087956
Update Time:2025-04-21
2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester
- 720720-30-9
- DA-41580
- SCHEMBL3305628
-
- Inchi： 1S/C11H9N3O2/c1-16-11(15)10-13-6-9(7-14-10)8-2-4-12-5-3-8/h2-7H,1H3
- InChI Key： QHKJYRMLAWCQOA-UHFFFAOYSA-N
- SMILES： O(C)C(C1=NC=C(C=N1)C1C=CN=CC=1)=O
Computed Properties
- Exact Mass: 215.069476538g/mol
- Monoisotopic Mass: 215.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 233
- 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: 0.9
- Topological Polar Surface Area: 65?2
2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
720720-30-9 (2-Pyrimidinecarboxylic acid, 5-(4-pyridinyl)-, methyl ester) Related Products
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