1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid - CAS 33821-59-9
Catalog: |
BB061766 |
Product Name: |
1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid |
CAS: |
33821-59-9 |
Synonyms: |
1,6-dimethyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid; 1,6-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid; 1,6-DIMETHYL-4-OXOPYRIDINE-3-CARBOXYLIC ACID |
IUPAC Name: | 1,6-dimethyl-4-oxopyridine-3-carboxylic acid |
Description: | 1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid (cas# 33821-59-9) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=O)C(=CN1C)C(=O)O |
InChI: | InChI=1S/C8H9NO3/c1-5-3-7(10)6(8(11)12)4-9(5)2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | WKIVLYSBCFMIPY-UHFFFAOYSA-N |
Melting Point: | 226 - 228°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Light Beige Solid |
Storage: | -20°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021173591-A1 | Compounds and methods of use | 20200224 |
EP-3600312-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
JP-2020512401-A | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | 20170326 |
WO-2018183145-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
US-2020375969-A1 | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6 | 20170326 |
WO-2010133973-A1 | 1,4 dihydropyridine derivatives and their uses | 20090520 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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