Methyl 5-(Bromomethyl)pyridine-2-carboxylate - CAS 55876-84-1
Catalog: |
BB029207 |
Product Name: |
Methyl 5-(Bromomethyl)pyridine-2-carboxylate |
CAS: |
55876-84-1 |
Synonyms: |
5-(bromomethyl)-2-pyridinecarboxylic acid methyl ester; methyl 5-(bromomethyl)pyridine-2-carboxylate |
IUPAC Name: | methyl 5-(bromomethyl)pyridine-2-carboxylate |
Description: | Methyl 5-(Bromomethyl)pyridine-2-carboxylate (CAS# 55876-84-1) is a useful research chemical compound. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=C1)CBr |
InChI: | InChI=1S/C8H8BrNO2/c1-12-8(11)7-3-2-6(4-9)5-10-7/h2-3,5H,4H2,1H3 |
InChI Key: | SIMKVUKTEMRUSF-UHFFFAOYSA-N |
Boiling Point: | 334 ℃ at 760 mmHg |
Density: | 1.533 g/cm3 |
LogP: | 1.76310 |
Publication Number | Title | Priority Date |
WO-2021151014-A1 | Pgdh inhibitors and methods of making and using | 20200123 |
WO-2020228649-A1 | Substituted phenylpropenylpyridine derivative, and preparation method therefor and medical use thereof | 20190510 |
CN-112566905-A | Substituted phenyl propenyl pyridine derivatives, preparation method and medical application thereof | 20190510 |
WO-2020067456-A1 | Heterocyclic compound | 20180928 |
EP-3858828-A1 | Heterocyclic compound | 20180928 |
Complexity: | 163 |
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: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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