Cas no 919354-65-7 (3-Pyridinecarboxylic acid, 5,6-dichloro-2-methyl-, ethyl ester)
919354-65-7 structure
Product Name:3-Pyridinecarboxylic acid, 5,6-dichloro-2-methyl-, ethyl ester
CAS No:919354-65-7
MF:C9H9Cl2NO2
MW:234.079260587692
CID:763763
PubChem ID:71425173
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 5,6-dichloro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 5,6-dichloro-2-methyl-, ethyl ester
- ethyl 5,6-dichloro-2-methylnicotinate
- ethyl 5,6-dichloro-2-methylpyridine-3-carboxylate
- KMIKFCATUXBTKP-UHFFFAOYSA-N
- SCHEMBL4737125
- DTXSID30843962
- 919354-65-7
-
- Inchi: 1S/C9H9Cl2NO2/c1-3-14-9(13)6-4-7(10)8(11)12-5(6)2/h4H,3H2,1-2H3
- InChI Key: KMIKFCATUXBTKP-UHFFFAOYSA-N
- SMILES: ClC1=C(N=C(C)C(C(=O)OCC)=C1)Cl
Computed Properties
- Exact Mass: 233.0010339g/mol
- Monoisotopic Mass: 233.0010339g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 3.1
- Topological Polar Surface Area: 39.2?2
3-Pyridinecarboxylic acid, 5,6-dichloro-2-methyl-, ethyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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