5-Bromo-2,4-dimethoxypyridine

CAT: 0926-CCA60607-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-CCA60607-01Size:2 g

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CAS Number

52606-07-2

MDL Number

MFCD14705145

Smiles

COC1=CC (=NC=C1Br) OC

Molecular Formula

C7H8BrNO2

Molecular Weight

218.05 g/mol

Controlled

Chemical Information

5-Bromo-2,4-dimethoxypyridine

CAS Number	52606-07-2
PubChem CID	18788708
IUPAC Name	5-bromo-2,4-dimethoxypyridine
Molecular Formula	C7H8BrNO2
Molecular Weight	218.05
XLogP	1.8
Topological Polar Surface Area	31.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	123

SMILES

COC1=CC(=NC=C1Br)OC

InChI

InChI=1S/C7H8BrNO2/c1-10-6-3-7(11-2)9-4-5(6)8/h3-4H,1-2H3

InChIKey

IRLDCGSNDXFFQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52606-07-2

CID: 18788708

Formula: C7H8BrNO2

MW: 218.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.05
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	216.97384
Monoisotopic Mass	216.97384
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
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
GAC78579-01	4,5-Dimethoxypyridine-2-carbonitrile
SJB26724	2,5-Dimethoxypyridine
NAA44516	3-Bromo-2,6-dimethoxypyridine
CCA60608-01	6-Bromo-2,3-dimethoxypyridine
FQC19377	2,5-Dimethoxypyridine-4-boronic acid
FB11369-01	5-Bromo-2,4-dimethoxypyrimidine
CEC71894-01	4- (Bromomethyl) -2,6-dimethoxypyridine
FC20271	2-Chloromethyl-3,4-dimethoxypyridine hydrochloride
FB143757	5-Bromo-2,3-dimethoxypyrazine
KHD02059-01	2,4-Dimethoxypyridine-3-carboxylic acid hydrochloride

Catalog	Name
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