Cas no 226896-38-4 (4-Pyridinecarboxylicacid, 2-methylpropyl ester)
226896-38-4 structure
Product Name:4-Pyridinecarboxylicacid, 2-methylpropyl ester
CAS No:226896-38-4
MF:C10H13NO2
MW:179.215722799301
CID:244887
PubChem ID:15415027
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 2-methylpropyl ester
- 2-methylpropyl pyridine-4-carboxylate
- 4-PYRIDINECARBOXYLIC ACID 2-METHYLPROPYL ESTER
- FT-0619447
- 226896-38-4
- AKOS006242916
- SCHEMBL11640564
- DTXSID60572551
-
- Inchi： 1S/C10H13NO2/c1-8(2)7-13-10(12)9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3
- InChI Key： BCCFADLFYUAUPC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CN=CC=1)=O)CC(C)C
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: 4
- Complexity: 162
- 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: 2.4
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
4-Pyridinecarboxylicacid, 2-methylpropyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
226896-38-4 (4-Pyridinecarboxylicacid, 2-methylpropyl ester) Related Products
- 1570-45-2(ethyl pyridine-4-carboxylate)
- 5868-05-3(3-Pyridinecarboxylicacid, 3,3'-[2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl] ester)
- 13841-66-2(4-Pyridinecarboxylicacid, butyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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