Cas no 74416-84-5 (phenyl 5-butoxypyridine-2-carboxylate)
74416-84-5 structure
Product Name:phenyl 5-butoxypyridine-2-carboxylate
CAS No:74416-84-5
MF:C16H17NO3
MW:271.311084508896
CID:1768109
PubChem ID:3058037
Update Time:2025-04-21
phenyl 5-butoxypyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- phenyl 5-butoxypyridine-2-carboxylate
- 74416-84-5
- DTXSID40225412
- 2-Pyridinecarboxylic acid, 5-butoxy-, phenyl ester
- 5-Butoxypicolinic acid phenyl ester
- Picolinic acid, 5-butoxy-, phenyl ester
-
- Inchi： 1S/C16H17NO3/c1-2-3-11-19-14-9-10-15(17-12-14)16(18)20-13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
- InChI Key： ZOEAWCYGRJMSPW-UHFFFAOYSA-N
- SMILES： O(C1C=NC(C(=O)OC2C=CC=CC=2)=CC=1)CCCC
Computed Properties
- Exact Mass: 271.12091
- Monoisotopic Mass: 271.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 289
- 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: 3.8
- Topological Polar Surface Area: 48.4?2
Experimental Properties
- PSA: 48.42
phenyl 5-butoxypyridine-2-carboxylate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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