Cas no 136562-05-5 (3-Pyridinecarboxaldehyde, 5-ethyl-2-methoxy-6-methyl-)
136562-05-5 structure
Product Name:3-Pyridinecarboxaldehyde, 5-ethyl-2-methoxy-6-methyl-
CAS No:136562-05-5
MF:C10H13NO2
MW:179.215722799301
CID:1246986
PubChem ID:10261679
Update Time:2025-04-20
3-Pyridinecarboxaldehyde, 5-ethyl-2-methoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxaldehyde, 5-ethyl-2-methoxy-6-methyl-
- 5-ethyl-2-methoxy-6-methylnicotinaldehyde
- 5-ethyl-2-methoxy-6-methylpyridine-3-carboxaldehyde
- RNLDTMJKDYDWJG-UHFFFAOYSA-N
- 2-methoxy-5-ethyl-6-methyl nicotinaldehyde
- 136562-05-5
- 2-methoxy-5-ethyl-6-methyl-nicotinaldehyde
- SCHEMBL9267418
- 5-ethyl-2-methoxy-6-methyl nicotinaldehyde
- 2-methoxy-5-ethyl-6-methylnicotinaldehyde
- DA-21137
-
- Inchi： 1S/C10H13NO2/c1-4-8-5-9(6-12)10(13-3)11-7(8)2/h5-6H,4H2,1-3H3
- InChI Key： RNLDTMJKDYDWJG-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=O)C=C(C(C)=N1)CC
Computed Properties
- Exact Mass: 179.09469
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 39.2?2
Experimental Properties
- PSA: 39.19
3-Pyridinecarboxaldehyde, 5-ethyl-2-methoxy-6-methyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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