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Diethyl [(5-Bromo-2-pyridyl)methyl]phosphonate

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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

Phosphorus Compounds

[60902-45-6]
n-Nonyl triphenylphosphonium bromide
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[55552-24-4]
Ethyl (diphenylphosphino)acetate
[20345-61-3]
Ethyl 2-(diethoxyphosphoryl)prop-2-enoate
[28845-75-2]
Ethyl 2,2-dibromodiethylphosphonoacetate
[1536463-79-2]
Ethyl 2-dibutoxyphosphorylbutanoate

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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