2-Bromo-3-methyl-4-nitropyridine

CAT: 0127-OR1070801-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070801-01Size:50 mg

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CAS Number

79055-55-3

MDL Number

MFCD14584507

Purity

95%

Smiles

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

Chemical Information

2-bromo-3-methyl-4-nitroPyridine

CAS Number	79055-55-3
PubChem CID	12643714
IUPAC Name	2-bromo-3-methyl-4-nitropyridine
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.02
XLogP	2.1
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

CC1=C(C=CN=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3

InChIKey

ZJAOQVPWZPIWQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79055-55-3

CID: 12643714

Formula: C6H5BrN2O2

MW: 217.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	215.95344
Monoisotopic Mass	215.95344
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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
EFC36585-01	Methyl 2-bromo-3-nitropyridine-4-carboxylate
EHA67709-01	4-Bromo-3-methyl-5-nitropyridine
sc-483480	3-Bromo-4-methyl-5-nitropyridine
415922-01	2-Bromo-4-methyl-5-nitropyridine
JH913452	4-Bromo-2-methyl-5-nitropyridine
abx183114	2-Bromo-5-Methyl-4-Nitropyridine
DFC87337-01	5-Bromo-2-methyl-4-nitropyridine
AZB27870-01	5-Bromo-4-methyl-2-nitropyridine
ZRB70673	3-bromo-2-chloro-4-methyl-5-nitropyridine
435318-01	5-Bromo-2-chloro-4-methyl-3-nitropyridine