Diethyl [(5-Bromo-2-pyridyl)methyl]phosphonate - CAS 380893-73-2
Catalog: |
BB023534 |
Product Name: |
Diethyl [(5-Bromo-2-pyridyl)methyl]phosphonate |
CAS: |
380893-73-2 |
Synonyms: |
5-bromo-2-(diethoxyphosphorylmethyl)pyridine; 5-bromo-2-(diethoxyphosphorylmethyl)pyridine |
IUPAC Name: | 5-bromo-2-(diethoxyphosphorylmethyl)pyridine |
Description: | Diethyl [(5-Bromo-2-pyridyl)methyl]phosphonate (CAS# 380893-73-2 ) is a useful research chemical. |
Molecular Weight: | 308.11 |
Molecular Formula: | C10H15BrNO3P |
Canonical SMILES: | CCOP(=O)(CC1=NC=C(C=C1)Br)OCC |
InChI: | InChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3 |
InChI Key: | FXHRUJPAPFLBML-UHFFFAOYSA-N |
LogP: | 3.61020 |
Publication Number | Title | Priority Date |
EP-3206687-A1 | Preparation and use of cyclic sulfonamide derivatives as par-1 receptor antagonists | 20141015 |
US-2017240539-A1 | Preparation and Use of Cyclic Sulfonamide Derivatives as PAR-1 Receptor Antagonists | 20141015 |
WO-2016060940-A1 | Preparation and use of cyclic sulfonamide derivatives as par-1 receptor antagonists | 20141015 |
EP-3035928-A1 | 3'-pyridyl substituted- 6,6-difluoro bicyclic himbacine derivatives | 20130822 |
EP-3035929-A1 | 7a-amide substituted-6,6-difluoro bicyclic himbacine derivatives | 20130822 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.99729 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.99729 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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