3-Bromo-5-methyl-4-nitropyridine

CAT: 0127-OR345531-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345531-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1379323-18-8

MDL Number

MFCD17014982

Purity

95%

Smiles

Cc1cncc(Br)c1[N+](=O)[O-]

Chemical Information

3-Bromo-5-methyl-4-nitropyridine

CAS Number	1379323-18-8
PubChem CID	72207231
IUPAC Name	3-bromo-5-methyl-4-nitropyridine
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.02
XLogP	1.7
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=CN=CC(=C1[N+](=O)[O-])Br

InChI

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

InChIKey

KUHYGUUDVQBULL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379323-18-8

CID: 72207231

Formula: C6H5BrN2O2

MW: 217.02

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	1.7
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