Methyl 5-Bromo-2-methylisonicotinate - CAS 1804406-76-5
Catalog: |
BB013699 |
Product Name: |
Methyl 5-Bromo-2-methylisonicotinate |
CAS: |
1804406-76-5 |
Synonyms: |
5-bromo-2-methyl-4-pyridinecarboxylic acid methyl ester; methyl 5-bromo-2-methylpyridine-4-carboxylate |
IUPAC Name: | methyl 5-bromo-2-methylpyridine-4-carboxylate |
Description: | Methyl 5-Bromo-2-methylisonicotinate (CAS# 1804406-76-5 ) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=NC=C(C(=C1)C(=O)OC)Br |
InChI: | InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)7(9)4-10-5/h3-4H,1-2H3 |
InChI Key: | IQDMSGUFTYWZLX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-111848502-A | Synthesis method of (5-bromo-2-methylpyridin-4-yl) methanol | 20200731 |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
WO-2018019767-A1 | Herbicidal pyridine compounds | 20160727 |
US-2016214960-A1 | 2-pyridyloxy-4-ester orexin receptor antagonists | 20121220 |
US-9556145-B2 | 2-pyridyloxy-4-ester orexin receptor antagonists | 20121220 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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