Methyl 2-Formylisonicotinate - CAS 125104-34-9
Catalog: |
BB006072 |
Product Name: |
Methyl 2-Formylisonicotinate |
CAS: |
125104-34-9 |
Synonyms: |
2-formyl-4-pyridinecarboxylic acid methyl ester; methyl 2-formylpyridine-4-carboxylate |
IUPAC Name: | methyl 2-formylpyridine-4-carboxylate |
Description: | Methyl 2-Formylisonicotinate (CAS# 125104-34-9) is a useful research chemical. |
Molecular Weight: | 165.15 |
Molecular Formula: | C8H7NO3 |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1)C=O |
InChI: | InChI=1S/C8H7NO3/c1-12-8(11)6-2-3-9-7(4-6)5-10/h2-5H,1H3 |
InChI Key: | FLXVRBSKKVMMQQ-UHFFFAOYSA-N |
LogP: | 0.68070 |
Publication Number | Title | Priority Date |
JP-2021143175-A | Pharmaceutical composition containing an imidazolipyridinone compound | 20200312 |
JP-2021143176-A | Method for Producing Imidazopyridinone Compound | 20200312 |
JP-2021116240-A | (Hetero) Aryl imidazolone compound | 20200123 |
WO-2021106230-A1 | Novel phenol compound or salt thereof | 20191129 |
WO-2021032209-A1 | Anti-influenza virus compound, preparation method and use thereof | 20190822 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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