4-Bromo-2-hydroxy-5-nitropyridine

CAT: 0127-OR345547Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR345547Size:1 Each

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CAS Number

1379309-17-7

MDL Number

MFCD17014989

Purity

=95%

Smiles

Oc1cc(Br)c(cn1)[N+](=O)[O-]

Chemical Information

4-Bromo-2-hydroxy-5-nitropyridine

CAS Number	1379309-17-7
PubChem CID	99770538
IUPAC Name	4-bromo-5-nitro-1H-pyridin-2-one
Molecular Formula	C5H3BrN2O3
Molecular Weight	218.99
XLogP	0.2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	276

SMILES

C1=C(C(=CNC1=O)[N+](=O)[O-])Br

InChI

InChI=1S/C5H3BrN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)

InChIKey

ORZJNGUVNFQCPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379309-17-7

CID: 99770538

Formula: C5H3BrN2O3

MW: 218.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.99
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	217.93270
Monoisotopic Mass	217.93270
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	276
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
OR902141-01	3-Bromo-4-hydroxy-5-nitropyridine
OR29816-01	5-Bromo-2-hydroxy-3-nitropyridine
OR13237	3-Bromo-2-hydroxy-5-nitropyridine
PC445046	4-Bromo-5-fluoro-2-hydroxy-3-nitropyridine
OR3464-01	5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
OR345491	2-Bromo-4-hydroxy-3-nitropyridine
OR2913-01	2-Hydroxy-4-methyl-5-nitropyridine
OR14756-01	2-Hydroxy-4-methoxy-5-nitropyridine
OR345542	4-Amino-2-hydroxy-5-nitropyridine
OR60104	4-Chloro-2-hydroxy-5-nitropyridine

Catalog	Name
sc-322403A	3-Bromo-4-hydroxy-5-nitropyridine
233959-01	5-Bromo-2-hydroxy-3-nitropyridine
TRC-B687270-2.5G	5-Bromo-3-hydroxy-2-nitropyridine
sc-470296	3-Bromo-2-hydroxy-5-nitropyridine
266455-01	5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
278672-01	2-Hydroxy-4-methyl-5-nitropyridine
278699-01	2-Hydroxy-5-nitropyridine
278770-01	5-Hydroxy-2-nitropyridine
415922-01	2-Bromo-4-methyl-5-nitropyridine
JH913452	4-Bromo-2-methyl-5-nitropyridine