4-Hydroxy-3-nitropyridine

CAT: 0926-FH05482-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FH05482-01Size:0.25 kg

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CAS Number

5435-54-1

Synonyms

3-Nitropyridin-4-ol

MDL Number

MFCD00128874

Smiles

C1=CNC=C (C1=O) [N+] (=O) [O-]

Molecular Formula

C5H4N2O3

Molecular Weight

140.1 g/mol

Controlled

Chemical Information

3-Nitro-1,4-dihydropyridin-4-one

CAS Number	5435-54-1
PubChem CID	228506
IUPAC Name	3-nitro-1H-pyridin-4-one
Molecular Formula	C5H4N2O3
Molecular Weight	140.10
XLogP	0.2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	236

SMILES

C1=CNC=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8)

InChIKey

YUWOLBZMQDGRFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5435-54-1

CID: 228506

Formula: C5H4N2O3

MW: 140.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	140.02219199
Monoisotopic Mass	140.02219199
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	236
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
FH02158-01	2-Hydroxy-4-methyl-3-nitropyridine
FH00801	3-Hydroxy-2-nitropyridine
FB55607	5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
FH02950-01	2-Hydroxy-4-methyl-5-nitropyridine
ABA39159	2-Hydroxy-5-iodo-3-nitropyridine
HAA46414	2-Hydroxy-5-methyl-3-nitropyridine
UEC13638-01	2-Hydroxy-6-methyl-3-nitropyridine-4-carboxylic acid
DXC60772-01	Methyl 2-hydroxy-6-methyl-3-nitropyridine-4-carboxylate
FH06259-01	2-Hydroxy-5-nitropyridine
FF77845-01	4-Fluoro-3-nitropyridine

Catalog	Name
231944-01	3-Hydroxy-4-nitropyridine
abx183605-01	4-Hydroxy-3-nitropyridine
OR315152-01	2-Hydroxy-4-nitropyridine
233216-01	4-Hydroxy-3-nitropyridine 98+% (HPLC)
sc-261996A	4-Hydroxy-3-nitropyridine N-oxide
OR902141-01	3-Bromo-4-hydroxy-5-nitropyridine
OR3150-01	2-Hydroxy-4-methyl-3-nitropyridine
OR345553	4-Hydroxy-2-methyl-3-nitropyridine
230123-01	2-Chloro-4-hydroxy-3-nitropyridine
270344-01	4-Chloro-2-hydroxy-3-nitropyridine