Cas no 579476-62-3 ([2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester)
579476-62-3 structure
Product Name:[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester
CAS No:579476-62-3
MF:C13H12N2O2
MW:228.246582984924
CID:1607629
PubChem ID:69490009
Update Time:2025-04-21
[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- [2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester
- 579476-62-3
- DB-198412
- SCHEMBL5564450
- 2'-methyl-[2,4']bipyridinyl-4-carboxylic acid methyl ester
- methyl 2-(2-methylpyridin-4-yl)pyridine-4-carboxylate
- VLGJAQOVHJDEAJ-UHFFFAOYSA-N
-
- Inchi: 1S/C13H12N2O2/c1-9-7-10(3-5-14-9)12-8-11(4-6-15-12)13(16)17-2/h3-8H,1-2H3
- InChI Key: VLGJAQOVHJDEAJ-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CN=C(C=1)C1C=CN=C(C)C=1)=O
Computed Properties
- Exact Mass: 228.08996
- Monoisotopic Mass: 228.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 270
- 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: 1.7
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08
[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
579476-62-3 ([2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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