Ethyl 4,6-Dihydroxynicotinate - CAS 6975-44-6
Catalog: |
BB033959 |
Product Name: |
Ethyl 4,6-Dihydroxynicotinate |
CAS: |
6975-44-6 |
Synonyms: |
4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester; ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
IUPAC Name: | ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
Description: | Ethyl 4,6-Dihydroxynicotinate (CAS# 6975-44-6) is the synthesis of pyridazinopyrimidinone and pyridopyrimidinone derivatives as PDE5 inhibitors and for the synthesis of pyridone diaryl ether non-nucleoside inhibitors of HIV-1 reverse transcriptase. |
Molecular Weight: | 183.16 |
Molecular Formula: | C8H9NO4 |
Canonical SMILES: | CCOC(=O)C1=CNC(=O)C=C1O |
InChI: | InChI=1S/C8H9NO4/c1-2-13-8(12)5-4-9-7(11)3-6(5)10/h3-4H,2H2,1H3,(H2,9,10,11) |
InChI Key: | QDHHLXABEXNRJX-UHFFFAOYSA-N |
Boiling Point: | 497.628 °C at 760 mmHg |
Density: | 1.368 g/cm3 |
MDL: | MFCD00834976 |
LogP: | 0.66950 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021062245-A1 | Pyridone compounds and methods of use in the modulation of a protein kinase | 20190926 |
US-2016222014-A1 | Compounds for regulating fak and/or src pathways | 20130910 |
WO-2015038417-A1 | Compounds for regulating fak and/or src pathways | 20130910 |
US-2015266870-A1 | Multiple kinase pathway inhibitors | 20120926 |
US-2017107215-A1 | Multiple kinase pathway inhibitors | 20120926 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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