4,6-dimethylnicotinic acid - CAS 22047-86-5
Catalog: |
BB017320 |
Product Name: |
4,6-dimethylnicotinic acid |
CAS: |
22047-86-5 |
Synonyms: |
4,6-dimethyl-3-pyridinecarboxylic acid; 4,6-dimethylpyridine-3-carboxylic acid |
IUPAC Name: | 4,6-dimethylpyridine-3-carboxylic acid |
Description: | 4,6-dimethylnicotinic acid (CAS# 22047-86-5) is a useful research chemical compound. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=CC(=NC=C1C(=O)O)C |
InChI: | InChI=1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11) |
InChI Key: | DNXREYUMWKSTJU-UHFFFAOYSA-N |
Boiling Point: | 310 ℃ at 760 mmHg |
Density: | 1.183 g/cm3 |
MDL: | MFCD19103652 |
LogP: | 1.39660 |
Publication Number | Title | Priority Date |
WO-2020160192-A1 | Compounds and uses thereof | 20190129 |
JP-2020512401-A | Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | 20170326 |
WO-2018059314-A1 | Azabicycle derivatives and preparation method and use thereof | 20160928 |
US-2017355693-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
WO-2017218337-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Pyridines
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