methyl 2-methylnicotinate - CAS 65719-09-7
Catalog: |
BB032801 |
Product Name: |
methyl 2-methylnicotinate |
CAS: |
65719-09-7 |
Synonyms: |
2-methyl-3-pyridinecarboxylic acid methyl ester; methyl 2-methylpyridine-3-carboxylate |
IUPAC Name: | methyl 2-methylpyridine-3-carboxylate |
Description: | methyl 2-methylnicotinate (CAS# 65719-09-7) is an ester derivative of nicotinic acid used in the preparation of bicyclic nitrogen containing heterocycles. Methyl 2-Methylnicotinate is a pyrolysis product of cocaine. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(C=CC=N1)C(=O)OC |
InChI: | InChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3 |
InChI Key: | KLHWBYHFWALOIJ-UHFFFAOYSA-N |
Boiling Point: | 102-104 ℃ / 10 mmHg |
Density: | 1.104 g/cm3 |
MDL: | MFCD00051961 |
LogP: | 1.17660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152037-A | Heterocyclic amide compound | 20210611 |
JP-2020164533-A | Heterocyclic amide compound | 20200529 |
CN-111004169-A | Synthesis method and application of polysubstituted pyridine derivative | 20191226 |
CN-112824387-A | 2-methyl nicotinate and preparation method and application thereof | 20191121 |
WO-2021014365-A1 | Macrocyclic compounds as sting agonists and methods and uses thereof | 20190722 |
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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