Methyl 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylate - CAS 6375-89-9
Catalog: |
BB032265 |
Product Name: |
Methyl 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylate |
CAS: |
6375-89-9 |
Synonyms: |
1-methyl-6-oxo-3-pyridinecarboxylic acid methyl ester; methyl 1-methyl-6-oxopyridine-3-carboxylate |
IUPAC Name: | methyl 1-methyl-6-oxopyridine-3-carboxylate |
Description: | Methyl 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS# 6375-89-9) is an intermediate in synthesizing Nudifloramide (N925500), which is a metabolite of Niacin (or Nicorinic acid). |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CN1C=C(C=CC1=O)C(=O)OC |
InChI: | InChI=1S/C8H9NO3/c1-9-5-6(8(11)12-2)3-4-7(9)10/h3-5H,1-2H3 |
InChI Key: | FXXHEBJCBBMISD-UHFFFAOYSA-N |
MDL: | MFCD00031001 |
LogP: | 0.17190 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021097240-A1 | Compounds and uses thereof | 20191113 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2020154571-A1 | Compounds and uses thereof | 20190124 |
US-2021139471-A1 | Compounds and uses thereof | 20190124 |
US-2020231584-A1 | PCSK9 Inhibitors and Methods of Use Thereof | 20190118 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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