2-Bromo-4-methoxy-3-nitropyridine

CAT: 0127-OR1055701-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1055701-01Size:250 mg

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CAS Number

1805942-20-4

MDL Number

MFCD28741607

Purity

97%

Smiles

O=[N+](C1=C(OC)C=CN=C1Br)[O-]

Chemical Information

2-Bromo-4-methoxy-3-nitropyridine

CAS Number	1805942-20-4
PubChem CID	92134224
IUPAC Name	2-bromo-4-methoxy-3-nitropyridine
Molecular Formula	C6H5BrN2O3
Molecular Weight	233.02
XLogP	1.7
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	173

SMILES

COC1=C(C(=NC=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H5BrN2O3/c1-12-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3

InChIKey

RPAKNWYJVGSRKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1805942-20-4

CID: 92134224

Formula: C6H5BrN2O3

MW: 233.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.02
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	231.94835
Monoisotopic Mass	231.94835
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
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
OR78569-01	4-Bromo-3-methoxy-2-nitropyridine
OR1071988-01	5-Bromo-2-methoxy-4-nitropyridine
OR940661-01	3-Bromo-4-methoxy-5-nitropyridine
OR345495-01	2-Bromo-6-methoxy-3-nitropyridine
OR31051-01	2-Bromo-5-methoxy-3-nitropyridine
OR345453-01	6-Bromo-3-methoxy-2-nitropyridine
OR345409	2-Bromo-3-methoxy-6-nitropyridine
OR11688	5-Bromo-2-methoxy-3-nitropyridine
OR8425-01	3-Bromo-2-methoxy-5-nitropyridine
OR41181-01	5-Bromo-2-methoxy-4-methyl-3-nitropyridine

Catalog	Name
MBS6034510-01	2-Bromo-3-methoxy-6-nitropyridine
sc-256895A	5-Bromo-2-methoxy-3-nitropyridine
263075-01	3-Bromo-2-methoxy-5-nitropyridine
EAC16376-01	3-Bromo-2-methoxy-4-methyl-5-nitropyridine
263073-01	5-Bromo-2-methoxy-4-methyl-3-nitropyridine
FM09694-01	4-Methoxy-3-nitropyridine
263115-01	5-Bromo-4-[2- (dimethylamino) ethenyl]-2-methoxy-3-nitropyridine