Cas no 61258-25-1 (3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester)
61258-25-1 structure
Product Name:3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester
CAS No:61258-25-1
MF:C11H12NO4
MW:222.217283248901
CID:486888
PubChem ID:51541626
Update Time:2025-04-19
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester
- 5-ethoxycarbonyl-2,6-dimethylpyridine-3-carboxylate
- 5-(Ethoxycarbonyl)-2,6-dimethylpyridine-3-carboxylate
- 61258-25-1
- DTXSID80680167
-
- Inchi： 1S/C11H13NO4/c1-4-16-11(15)9-5-8(10(13)14)6(2)12-7(9)3/h5H,4H2,1-3H3,(H,13,14)/p-1
- InChI Key： UXGIEYNFUOSRFI-UHFFFAOYSA-M
- SMILES： O(CC)C(C1=CC(C(=O)[O-])=C(C)N=C1C)=O
Computed Properties
- Exact Mass: 222.07666
- Monoisotopic Mass: 222.07663286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 274
- 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
- Topological Polar Surface Area: 79.3?2
Experimental Properties
- PSA: 79.32
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
61258-25-1 (3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, monoethyl ester) Related Products
- 1721-26-2(Ethyl 2-methylnicotinate)
- 65719-09-7(methyl 2-methylpyridine-3-carboxylate)
- 69687-80-5(Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate)
- 1721-13-7(ethyl 2,6-dimethylpyridine-3-carboxylate)
- 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)
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