Cas no 176433-51-5 (3-Pyridinecarbonylchloride, 2-chloro-5-formyl-)
176433-51-5 structure
Product Name:3-Pyridinecarbonylchloride, 2-chloro-5-formyl-
CAS No:176433-51-5
MF:C7H3Cl2NO2
MW:204.010219812393
CID:112371
PubChem ID:19710689
Update Time:2025-04-18
3-Pyridinecarbonylchloride, 2-chloro-5-formyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonylchloride, 2-chloro-5-formyl-
- 2-chloro-5-formylpyridine-3-carbonyl chloride
- 3-Pyridinecarbonyl chloride, 2-chloro-5-formyl- (9CI)
- 176433-51-5
- SCHEMBL8549689
- DTXSID90599392
-
- Inchi： 1S/C7H3Cl2NO2/c8-6-5(7(9)12)1-4(3-11)2-10-6/h1-3H
- InChI Key： HYGVPOXUCYEPGX-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)Cl)=CC(C=O)=CN=1
Computed Properties
- Exact Mass: 202.95419
- Monoisotopic Mass: 202.9540837g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 1.8
- Topological Polar Surface Area: 47?2
Experimental Properties
- PSA: 47.03
3-Pyridinecarbonylchloride, 2-chloro-5-formyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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