Cas no 65602-47-3 (1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER)
65602-47-3 structure
Product Name:1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER
CAS No:65602-47-3
MF:C13H14N2O4
MW:262.261263370514
CID:3236682
PubChem ID:12395943
Update Time:2025-04-21
1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER Chemical and Physical Properties
Names and Identifiers
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- 1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER
- 1H-Pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid, 2,6-dimethyl-, 3,5-dimethyl ester
- 1h-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid,2,6-dimethyl-,dimethyl ester
- 65602-47-3
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- Inchi: 1S/C13H14N2O4/c1-6-8(12(16)18-3)5-9-10(13(17)19-4)7(2)15-11(9)14-6/h5H,1-4H3,(H,14,15)
- InChI Key: SLQSFDXKAGAMQJ-UHFFFAOYSA-N
- SMILES: C12NC(C)=C(C(OC)=O)C1=CC(C(OC)=O)=C(C)N=2
Computed Properties
- Exact Mass: 262.09535693Da
- Monoisotopic Mass: 262.09535693Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 374
- 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: 81.3?2
1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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