Cas no 61830-12-4 (2,6-Pyridinedicarboxylic acid, 3,5-dibromo-)
61830-12-4 structure
Product Name:2,6-Pyridinedicarboxylic acid, 3,5-dibromo-
CAS No:61830-12-4
MF:C7H3Br2NO4
MW:324.911020517349
CID:465149
PubChem ID:12361201
Update Time:2025-04-19
2,6-Pyridinedicarboxylic acid, 3,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Pyridinedicarboxylic acid, 3,5-dibromo-
- 3,5-dibromopyridine-2,6-dicarboxylic acid
- 61830-12-4
- DTXSID70494078
-
- Inchi: 1S/C7H3Br2NO4/c8-2-1-3(9)5(7(13)14)10-4(2)6(11)12/h1H,(H,11,12)(H,13,14)
- InChI Key: RFLVRGQDWNWUAM-UHFFFAOYSA-N
- SMILES: BrC1=CC(=C(C(=O)O)N=C1C(=O)O)Br
Computed Properties
- Exact Mass: 322.84279
- Monoisotopic Mass: 322.84288g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 236
- 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: 87.5?2
Experimental Properties
- PSA: 87.49
2,6-Pyridinedicarboxylic acid, 3,5-dibromo- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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