Methyl 4-Methylnicotinate - CAS 33402-75-4
Catalog: |
BB021702 |
Product Name: |
Methyl 4-Methylnicotinate |
CAS: |
33402-75-4 |
Synonyms: |
4-methyl-3-pyridinecarboxylic acid methyl ester; methyl 4-methylpyridine-3-carboxylate |
IUPAC Name: | methyl 4-methylpyridine-3-carboxylate |
Description: | Methyl 4-Methylnicotinate (CAS# 33402-75-4) is an intermediate for the synthesis of various chemical compounds. It can be used for the preparation of pyridine analogs of Phthalide. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(C=NC=C1)C(=O)OC |
InChI: | InChI=1S/C8H9NO2/c1-6-3-4-9-5-7(6)8(10)11-2/h3-5H,1-2H3 |
InChI Key: | XEXPJABJVHEOCX-UHFFFAOYSA-N |
Boiling Point: | 215.3 ℃ at 760 mmHg |
Density: | 1.104 g/cm3 |
MDL: | MFCD09258869 |
LogP: | 1.17660 |
Publication Number | Title | Priority Date |
WO-2020112700-A1 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | 20181130 |
US-2021107904-A1 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | 20181130 |
WO-2020041159-A1 | Non-peptide opioid receptor modulators | 20180821 |
US-2020247812-A1 | Heterocyclic compounds and methods of use | 20180710 |
CN-110563722-A | pyridine or pyridazine ring compound and application thereof | 20180606 |
Complexity: | 147 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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