4-Acetamido-3-nitropyridine

CAT: 0127-OR345141Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR345141Size:1 Each

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CAS Number

79371-42-9

MDL Number

MFCD00955974

Purity

=95%

Smiles

CC(=O)Nc1ccncc1[N+](=O)[O-]

Chemical Information

4-Acetamido-3-nitropyridine

CAS Number	79371-42-9
PubChem CID	539636
IUPAC Name	N-(3-nitro-4-pyridinyl)acetamide
Molecular Formula	C7H7N3O3
Molecular Weight	181.15
XLogP	0.4
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	214

SMILES

CC(=O)NC1=C(C=NC=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O3/c1-5(11)9-6-2-3-8-4-7(6)10(12)13/h2-4H,1H3,(H,8,9,11)

InChIKey

YXAMTQAVAJACLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79371-42-9

CID: 539636

Formula: C7H7N3O3

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	181.04874109
Monoisotopic Mass	181.04874109
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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
OR345509	3-Acetamido-2-nitropyridine
OR345451	2-Acetamido-4-methyl-5-nitropyridine
OR0087-01	2-Acetamido-5-nitropyridine
OR345192	2-Acetamido-3-bromo-5-nitropyridine
PC49129-01	4-Fluoro-3-nitropyridine
PC3238-01	3-Fluoro-4-nitropyridine
OR21872-01	4-Hydroxy-3-nitropyridine
OR9530-01	4-Ethoxy-3-nitropyridine
OR345002	4-Benzylamino-3-nitropyridine
OR200124	4-Ethenyl-3-nitropyridine

Catalog	Name
sc-223352	2-Acetamido-5-nitropyridine
sc-321440A	2-Acetamido-3-bromo-5-nitropyridine
414802-01	2-Acetamido-5-bromo-3-nitropyridine
229664-01	2-Acetamido-5-nitropyridine 99+% (HPLC)
FF77845-01	4-Fluoro-3-nitropyridine
FM09694-01	4-Methoxy-3-nitropyridine
267626-01	3-Chloro-4-nitropyridine
231944-01	3-Hydroxy-4-nitropyridine
abx183605-01	4-Hydroxy-3-nitropyridine
sc-460870B	3-Bromo-4-nitropyridine