Methyl 4,6-Dihydroxynicotinate - CAS 79398-27-9
Catalog: |
BB036338 |
Product Name: |
Methyl 4,6-Dihydroxynicotinate |
CAS: |
79398-27-9 |
Synonyms: |
4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid methyl ester; methyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
IUPAC Name: | methyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
Description: | Methyl 4,6-Dihydroxynicotinate (CAS# 79398-27-9) is a useful research chemical. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | COC(=O)C1=CNC(=O)C=C1O |
InChI: | InChI=1S/C7H7NO4/c1-12-7(11)4-3-8-6(10)2-5(4)9/h2-3H,1H3,(H2,8,9,10) |
InChI Key: | YRIXOKHFULWNHE-UHFFFAOYSA-N |
Boiling Point: | 325.9 °C at 760 mmHg |
Density: | 1.456 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09152693 |
LogP: | 0.27940 |
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 |
CN-209985424-U | Continuous device for chlorinating hydroxypyridine substances | 20190218 |
TW-201609690-A | Pyridyl substituted pyrazole carboxamide | 20131218 |
US-2015166505-A1 | Pyridinyl-substituted pyrazolyl carboxamides | 20131218 |
WO-2015090579-A1 | Pyrazolyl-based carboxamides iv | 20131218 |
EP-3052494-A1 | Azaindazole compounds as inhibitors of t790m containing egfr mutants | 20130628 |
PMID | Publication Date | Title | Journal |
21202720 | 20080503 | Methyl 4,6-dichloro-pyridine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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