5-Acetyl-2- (4-bromophenoxy) pyridine

CAT: 0127-OR1001789-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001789-01Size:50 mg

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CAS Number

1557799-39-9

Purity

98%

Smiles

C=1(C=CC(=CN1)C(=O)C)OC=2C=CC(=CC2)Br

Chemical Information

5-Acetyl-2-(4-bromophenoxy) pyridine

CAS Number	1557799-39-9
PubChem CID	81897043
IUPAC Name	1-[6-(4-bromophenoxy)-3-pyridinyl]ethanone
Molecular Formula	C13H10BrNO2
Molecular Weight	292.13
XLogP	3.1
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

CC(=O)C1=CN=C(C=C1)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrNO2/c1-9(16)10-2-7-13(15-8-10)17-12-5-3-11(14)4-6-12/h2-8H,1H3

InChIKey

XBDIIEFLZBEFJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1557799-39-9

CID: 81897043

Formula: C13H10BrNO2

MW: 292.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.13
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	290.98949
Monoisotopic Mass	290.98949
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1004114-01	2- (4-Bromophenoxy) -5- (trifluoromethyl) pyridine
OR9299-01	2- (4-Bromophenoxy) pyridine
OR1099769-01	2- ((4-bromophenoxy) methyl) pyridine
OR111598	(2-Acetyl-5-bromophenoxy) acetic acid
OR471080-01	2- (2-Acetyl-4-bromophenoxy) acetic acid
OR1047690-01	4- (3-Bromophenoxy) pyridine
OR1034948-01	3- (4-Bromophenoxy) pyridine
PC300753-01	2- (4-Bromophenoxy) -6- (trifluoromethyl) pyridine
OR2051	2- (3-Bromophenoxy) pyridine
OR111597	Ethyl (2-acetyl-5-bromophenoxy) acetate

Catalog	Name
MFA73663	2- (4-Bromophenoxy) -5- (trifluoromethyl) pyridine
sc-347618A	4- (2-bromophenoxy) pyridine
EAA78382-01	2- (4-Bromophenoxy) pyridine
UQB44179-01	2- (4-Bromophenoxy) -3- (trifluoromethyl) pyridine
sc-259163A	2- (3-Bromophenoxy) pyridine
UFC04270-01	4- (3-Bromophenoxy) pyridine-2-carboxylic acid hydrochloride
sc-339439A	2- (2-bromophenoxy) pyridine-3-carboxylic acid
AR-P03303-01	2-Acetyl-3,4,5,6-tetrahydro Pyridine Hydrochloride
sc-352929A	6- (2-bromophenoxy) pyridine-3-carboxylic acid
abx180229-01	2,4,5-Triamino-pyridine