5-Hydroxypyridine-2-carboxylic Acid - CAS 15069-92-8
Catalog: |
BB010564 |
Product Name: |
5-Hydroxypyridine-2-carboxylic Acid |
CAS: |
15069-92-8 |
Synonyms: |
5-hydroxy-2-pyridinecarboxylic acid; 5-hydroxypyridine-2-carboxylic acid |
IUPAC Name: | 5-hydroxypyridine-2-carboxylic acid |
Description: | A useful synthetic intermediate. |
Molecular Weight: | 139.11 |
Molecular Formula: | C6H5NO3 |
Canonical SMILES: | C1=CC(=NC=C1O)C(=O)O |
InChI: | InChI=1S/C6H5NO3/c8-4-1-2-5(6(9)10)7-3-4/h1-3,8H,(H,9,10) |
InChI Key: | CGRRUFNHHQCLDZ-UHFFFAOYSA-N |
Boiling Point: | 616.2 °C at 760 mmHg |
Density: | 1.485 g/cm3 |
MDL: | MFCD00661309 |
LogP: | 0.48540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
29802182 | 20180801 | A Novel Degradation Mechanism for Pyridine Derivatives in Alcaligenes faecalis JQ135 | Applied and environmental microbiology |
20681301 | 20100301 | [Studies on the chemical constituents from aerial parts of Gynura divaricata] | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials |
14503873 | 20030930 | Conformational changes combined with charge-transfer interactions are essential for reduction in catalysis by p-hydroxybenzoate hydroxylase | Biochemistry |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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