Methyl 3-methylpyridine-2-carboxylate - CAS 59718-84-2
Catalog: |
BB030466 |
Product Name: |
Methyl 3-methylpyridine-2-carboxylate |
CAS: |
59718-84-2 |
Synonyms: |
methyl 3-methylpyridine-2-carboxylate |
IUPAC Name: | methyl 3-methylpyridine-2-carboxylate |
Description: | Methyl 3-methylpyridine-2-carboxylate (CAS# 59718-84-2) is a building block that has been used in the synthesis of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(N=CC=C1)C(=O)OC |
InChI: | InChI=1S/C8H9NO2/c1-6-4-3-5-9-7(6)8(10)11-2/h3-5H,1-2H3 |
InChI Key: | CCQFKEITVOTHIW-UHFFFAOYSA-N |
Boiling Point: | 241.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.121 g/cm3 |
Solubility: | DCM |
Appearance: | Light yellow clear liquid |
LogP: | 1.17660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021119130-A | A drug consisting of a fused lactam derivative | 20200129 |
US-2020172543-A1 | Condensed lactam derivative | 20180723 |
WO-2020022237-A1 | Fused ring lactam derivatives | 20180723 |
US-10745401-B2 | Condensed lactam derivative | 20180723 |
US-2020255432-A1 | Condensed lactam derivative | 20180723 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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