5-Hydroxynicotinic acid - CAS 27828-71-3
Catalog: |
BB019682 |
Product Name: |
5-Hydroxynicotinic acid |
CAS: |
27828-71-3 |
Synonyms: |
5-hydroxypyridine-3-carboxylic acid |
IUPAC Name: | 5-hydroxypyridine-3-carboxylic acid |
Description: | A nicotinic acid analog with potential inhibitory effect on the metabolism nicotinic acid by human platelets. Used in the investigation of the hydroxylation mechanism of the flaovoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO). |
Molecular Weight: | 139.11 |
Molecular Formula: | C6H5NO3 |
Canonical SMILES: | C1=C(C=NC=C1O)C(=O)O |
InChI: | InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10) |
InChI Key: | ATTDCVLRGFEHEO-UHFFFAOYSA-N |
Boiling Point: | 519.3 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.485 g/cm3 |
MDL: | MFCD00129117 |
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 |
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PMID | Publication Date | Title | Journal |
21581135 | 20081108 | Tetra-aqua-bis(5-hydroxy-nicotinato-κN)cadmium(II) | Acta crystallographica. Section E, Structure reports online |
15049701 | 20040406 | Use of 8-substituted-FAD analogues to investigate the hydroxylation mechanism of the flavoprotein 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase | 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 |
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