Methyl 5-Bromo-3-chloropyridine-2-carboxylate - CAS 1214336-41-0
Catalog: |
BB005146 |
Product Name: |
Methyl 5-Bromo-3-chloropyridine-2-carboxylate |
CAS: |
1214336-41-0 |
Synonyms: |
5-bromo-3-chloro-2-pyridinecarboxylic acid methyl ester; methyl 5-bromo-3-chloropyridine-2-carboxylate |
IUPAC Name: | methyl 5-bromo-3-chloropyridine-2-carboxylate |
Description: | Methyl 5-Bromo-3-chloropyridine-2-carboxylate (CAS# 1214336-41-0) is an intermediate used to prepare aminopyridinyldihydrooxazine derivatives for use as BACE-1 and/or BACE-2 inhibitors. |
Molecular Weight: | 250.48 |
Molecular Formula: | C7H5BrClNO2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=C1Cl)Br |
InChI: | InChI=1S/C7H5BrClNO2/c1-12-7(11)6-5(9)2-4(8)3-10-6/h2-3H,1H3 |
InChI Key: | QBNSPYFGGCZDJG-UHFFFAOYSA-N |
Solubility: | MeOH |
Appearance: | Off-white powder |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.28410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2018091389-A1 | Pesticidally active heterocyclic derivatives with sulphur containing substituents | 20161117 |
EP-3380470-A1 | Pesticidally active heterocyclic derivatives with sulphur and cyclopropyl containing substituents | 20151123 |
JP-2018537460-A | Pest control active heterocyclic derivatives with sulfur and cyclopropyl containing substituents | 20151123 |
US-2018346462-A1 | Pesticidally active heterocyclic derivatives with sulphur and cyclopropyl containing substituents | 20151123 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.91922 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS