5-Bromo-2-hydroxynicotinic acid - CAS 104612-36-4
Catalog: |
BB001434 |
Product Name: |
5-Bromo-2-hydroxynicotinic acid |
CAS: |
104612-36-4 |
Synonyms: |
5-bromo-2-oxo-1H-pyridine-3-carboxylic acid; 5-bromo-2-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 5-bromo-2-oxo-1H-pyridine-3-carboxylic acid |
Description: | 5-Bromo-2-hydroxynicotinic acid (CAS# 104612-36-4) is a useful research chemical. |
Molecular Weight: | 218.00 |
Molecular Formula: | C6H4BrNO3 |
Canonical SMILES: | C1=C(C(=O)NC=C1Br)C(=O)O |
InChI: | InChI=1S/C6H4BrNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11) |
InChI Key: | GYXOTADLHQJPIP-UHFFFAOYSA-N |
Boiling Point: | 354.7 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 2.015 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD07363801 |
LogP: | 0.83560 |
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PMID | Publication Date | Title | Journal |
21202590 | 20080514 | Methyl 5-bromo-2-chloro-pyridine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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