[4,4'-Bipyridine]-2-carboxylic acid | 872468-96-7
英文名称:
[4,4'-Bipyridine]-2-carboxylic acid
CAS No.:
872468-96-7
分子式:
C1 1 H8 N2 O2
分子量:
200.19342
名称和标识符
InChIKey
XTXTUUSBPVGPTE-UHFFFAOYSA-N
Inchi
InChI=1S/C11H8N2O2/c14-11(15)10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H,(H,14,15)
SMILES
C1=CN=CC=C1C2=CC(=NC=C2)C(=O)O
别名信息
- 英文别名 -
[4,4'-Bipyridine]-2-carboxylic acid
4-pyridin-4-ylpyridine-2-carboxylic acid
EN300-5074926
CS-0250418
DTXSID80673539
872468-96-7
SCHEMBL16673126
Z1508939154
[4,4'-Bipyridine]-2-carboxylicacid
4-(PYRIDIN-4-YL)PYRIDINE-2-CARBOXYLIC ACID
物化性质
计算特性
精确分子量
200.058577502g/mol
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
2
同位素质量
200.058577502g/mol
重原子数量
15
复杂度
227
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.3
拓扑分子极性表面积
63.1Ų
相关文献
1.
A new 2-carboxylate-substituted 4,4′-bipyridine ligand: coordination chemistry of 4,4′-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4′-bipyridine
Chun-Long Chen,Joseph M. Ellsworth,Andrea M. Goforth,Mark D. Smith,Cheng-Yong Su,Hans-Conrad zur Loye Dalton Trans. 2006 5278
2.
Metal and mixed-metal coordination polymers synthesized with pyrazine-2-carboxylate
Joseph M. Ellsworth,Hans-Conrad zur Loye Dalton Trans. 2008 5823
3.
Synthesis of picolinates via a cooperative vinylogous anomeric-based oxidation using UiO-66(Zr)-N(CH2PO3H2)2 as a catalyst
Saeed Babaee,Hassan Sepehrmansourie,Mahmoud Zarei,Mohammad Ali Zolfigol,Mojtaba Hosseinifard RSC Adv. 2023 13 22503