Methyl 5-Bromopyridine-2-carboxylate - CAS 29682-15-3
Catalog: |
BB020276 |
Product Name: |
Methyl 5-Bromopyridine-2-carboxylate |
CAS: |
29682-15-3 |
Synonyms: |
5-bromo-2-pyridinecarboxylic acid methyl ester; methyl 5-bromopyridine-2-carboxylate |
IUPAC Name: | methyl 5-bromopyridine-2-carboxylate |
Description: | Methyl 5-Bromopyridine-2-carboxylate (CAS# 29682-15-3) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=C1)Br |
InChI: | InChI=1S/C7H6BrNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3 |
InChI Key: | JEURNBCYNWNADN-UHFFFAOYSA-N |
Boiling Point: | 290.9 °C at 760 mmHg |
Density: | 1.579 g/cm3 |
MDL: | MFCD04112493 |
LogP: | 1.63070 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021168197-A1 | Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof | 20200219 |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021130257-A1 | Dihydro-cyclopenta-isoquinoline sulfonamides derivatives | 20191223 |
WO-2021130259-A1 | Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds | 20191223 |
PMID | Publication Date | Title | Journal |
19272778 | 20090401 | First asymmetric synthesis of CJ-14877 and its enantiomer and their interleukin-1beta inhibitory activities | Bioorganic & medicinal chemistry letters |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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