4-Hydroxynicotinic Acid - CAS 609-70-1
Catalog: |
BB030875 |
Product Name: |
4-Hydroxynicotinic Acid |
CAS: |
609-70-1 |
Synonyms: |
4-oxo-1H-pyridine-3-carboxylic acid; 4-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 4-oxo-1H-pyridine-3-carboxylic acid |
Description: | 4-Hydroxynicotinic Acid (CAS# 609-70-1) is a potential inhibitor of the glycolytic process by which many cancer cells derive their energy requirements. |
Molecular Weight: | 139.11 |
Molecular Formula: | C6H5NO3 |
Canonical SMILES: | C1=CNC=C(C1=O)C(=O)O |
InChI: | InChI=1S/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10) |
InChI Key: | CHCUBGPSZDGABM-UHFFFAOYSA-N |
Boiling Point: | 312.7 °C at 760 mmHg |
Density: | 1.451 g/cm3 |
LogP: | 0.48540 |
GHS Hazard Statement: | H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17100572 | 20061101 | Further exploration of antimicrobial ketodihydronicotinic acid derivatives by multiple parallel syntheses | Combinatorial chemistry & high throughput screening |
17300085 | 20061001 | [The efficacy of oxynicotinic acid a nd its derivatives in respect of functional activity of hepatocytes during acute toxic hepatopathy] | Patologicheskaia fiziologiia i eksperimental'naia terapiia |
12955732 | 20030101 | Electrospray ionization mass spectrometry in studies of aluminium(III)-ligand solution equilibria | Rapid communications in mass spectrometry : RCM |
11576616 | 20011001 | Glycosides and xanthine oxidase inhibitors from Conyza bonariensis | Phytochemistry |
Complexity: | 239 |
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: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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