4-Nitro-3-methylpyridine

CAT: 0127-OR914353-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR914353-01Size:1 g

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CAS Number

1678-53-1

MDL Number

MFCD03095084

Purity

98%

Smiles

Cc1cnccc1[N+](=O)[O-]

Chemical Information

3-Methyl-4-nitropyridine

CAS Number	1678-53-1
PubChem CID	818233
IUPAC Name	3-methyl-4-nitropyridine
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	1
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	132

SMILES

CC1=C(C=CN=C1)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2/c1-5-4-7-3-2-6(5)8(9)10/h2-4H,1H3

InChIKey

UYAWSMUOLFSNGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1678-53-1

CID: 818233

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	132
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
OR79123-01	4-Ethynyl-3-methylpyridine
OR8895-01	4-Amino-3-methylpyridine
OR345552	4-Chloro-3-methylpyridine
OR97627-01	4-Methylpyridine-3-sulfonamide
OR6455-01	3-Bromo-4-methylpyridine
OR345131-01	3-Chloro-4-methylpyridine
PC445030-01	4-Fluoro-3-methylpyridine
OR51773	3-Hydroxy-4-methylpyridine
OR959599-01	4-Methoxy-3-methylpyridine
OR46599-01	4- (Hydroxymethyl) -3-methylpyridine

Catalog	Name
284546-01	2-Methoxy-5-nitro-4-methylpyridine
261204-01	2-Amino-3-nitro-5-methylpyridine
sc-357546A	2-Fluoro-3-nitro-5-methylpyridine
MBS6061424-01	3-Nitro-4-toluidine (3-Nitro-4-methylaniline)
431027-01	4-bromo-3-methylpyridine
426115-01	3-Iodo-4-methylpyridine
425660-01	3-Fluoro-4-methylpyridine
160537	3-Cyano-4-methylpyridine
RG-A261695-01	3-Bromo-4-Methylpyridine
TRC-H948075-1G	4-Hydroxy-3-methylpyridine