Cas no 413600-87-0 (6-Bromo-2,3-pyridinedicarboxylic acid)
413600-87-0 structure
Product Name:6-Bromo-2,3-pyridinedicarboxylic acid
CAS No:413600-87-0
MF:C7H4BrNO4
MW:246.014961242676
CID:1080322
PubChem ID:11447963
Update Time:2025-04-20
6-Bromo-2,3-pyridinedicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-Bromo-2,3-pyridinedicarboxylic acid
- DB-318002
- 413600-87-0
- 6-bromopyridine-2,3-dicarboxylic Acid
- SCHEMBL619251
-
- Inchi： 1S/C7H4BrNO4/c8-4-2-1-3(6(10)11)5(9-4)7(12)13/h1-2H,(H,10,11)(H,12,13)
- InChI Key： BMPNQFGDNWLWFR-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)O)C(C(=O)O)=N1
Computed Properties
- Exact Mass: 244.93237g/mol
- Monoisotopic Mass: 244.93237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 1.3
- Topological Polar Surface Area: 87.5?2
6-Bromo-2,3-pyridinedicarboxylic acid Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
413600-87-0 (6-Bromo-2,3-pyridinedicarboxylic acid) Related Products
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