5-氟烟酸 | 402-66-4
中文名称:
5-氟烟酸
英文名称:
5-fluoropyridine-3-carboxylic acid
CAS No.:
402-66-4
分子式:
C6 H4 FNO2
分子量:
141.0999
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-氟烟酸结构式
名称和标识符
MDL
MFCD01318537
InChIKey
BXZSBDDOYIWMGC-UHFFFAOYSA-N
Inchi
1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
SMILES
FC1=C([H])N=C([H])C(C(=O)O[H])=C1[H]
别名信息
- 中文别名 -
5-氟烟酸
5-Fluoronicotinic Acid 5-氟烟酸
5-氟烟酸,5-Fluoronicotinic acid
5-氟-3-吡啶羧酸
- 英文别名 -
5-Fluoronicotinic acid
5-FLUOROPYRIDINE-3-CARBOXYLIC ACID
AURORA KA-3033
5-fluoro-3-pyridinecarboxylicaci
5-fluoro-3-pyridinecarboxylicacid
5-Fluoro-3-pyridinecarboxylic Acid
5-Fluoro-nicotinic acid
3-Pyridinecarboxylic acid, 5-fluoro-
Nicotinic acid, 5-fluoro-
3-Fluoro-5-carboxypyridine
BXZSBDDOYIWMGC-UHFFFAOYSA-N
3-FLUORO-5-PYRIDINECARBOXYLIC ACID
5-Fluoronicotinicacid
PubChem10942
5-fluoro nicotinic acid
5-fluoroisonicotinic acid
4-Carboxy-3-fluoropyridine
KSC236S7B
ABBYPHA
5-Fluoropyridine-3-carboxylic acid
5-fluoropyridine-3-carboxylic acid
AKOS005137907
9C94XTS5CX
FT-0660654
PS-9027
5-Fluoro-3-pyridinecarboxylic acid
UNII-9C94XTS5CX
A6737
F0738
SY005275
FT-0600683
MFCD01318537
SCHEMBL430582
EN300-98110
J-517558
CS-W016443
PB23226
DTXSID60193200
F1905-7160
BCP24542
Z1192357288
402-66-4
AC-1806
AM20051156
CHEMBL397783
BDBM50216521
780701-97-5
物化性质
实验特性
LogP
0.91890
PSA
50.19000
折射率
1.534
沸点
272.2℃ at 760 mmHg
熔点
197.0 to 201.0 deg-C
闪点
118.4℃
溶解度
Soluble in methanol.
密度
1.419
计算特性
精确分子量
141.02300
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
1
同位素质量
141.023
重原子数量
10
复杂度
140
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)
0.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
50.2
海关数据
海关编码
2942000000
海关数据
中国海关编码:
2933399090
概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid
Yan-Hui Cui,Xiao-Xiao Liang,Jin-Zhong Gu,Jiang Wu,Alexander M. Kirillov CrystEngComm 2016 18 2303
2.
Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal–organic and supramolecular Ni, Co, and Cd networks
Yan-Hui Cui,Jiang Wu,Alexander M. Kirillov,Jin-Zhong Gu,Wei Dou RSC Adv. 2015 5 10400
3.
Recent advances in the global ring functionalization of 7-azaindoles
Prakash Kannaboina,Krishanu Mondal,Joydev K. Laha,Parthasarathi Das Chem. Commun. 2020 56 11749
4.
Rational design, synthesis and testing of novel tricyclic topoisomerase inhibitors for the treatment of bacterial infections part 1
R. Kirk,A. Ratcliffe,G. Noonan,M. Uosis-Martin,D. Lyth,O. Bardell-Cox,J. Massam,P. Schofield,S. Hindley,D. R. Jones,J. Maclean,A. Smith,V. Savage,S. Mohmed,C. Charrier,A-M. Salisbury,E. Moyo,R. Metzger,N. Chalam-Judge,J. Cheung,N. R. Stokes,S. Best,M. Craighead,R. Armer,A. Huxley RSC Med. Chem. 2020 11 1366
5.
Recent developments and perspectives in palladium-catalyzed cyanation of aryl halides: synthesis of benzonitriles
Pazhamalai Anbarasan,Thomas Schareina,Matthias Beller Chem. Soc. Rev. 2011 40 5049
6.
Notes
F. L. Scott,D. A. O'Sullivan,J. Reilly,Ronald Bentley,H. R. V. Arnstein,Robert D. Haworth,Leslie B. de Silva,R. D. Beaty,W. K. R. Musgrave,S. J. Angyal,G. B. Barlin,P. C. Wailes,M. D. Potter,E. P. Taylor J. Chem. Soc. 1951 3508
7.
Index of authors, 1951
J. Chem. Soc. 1951 3538
8.
Chapter 16. Alkaloids
H. F. Hodson Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1971 68 493
参考资料
Reaxys RN
115846
Beilstein
22(5)2,173
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