2-bromo-5-nitronicotinic acid

CAT: 0024-sc-335111Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-335111Size:1 g

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CAS Number

914222-92-7

Chemical Information

2-Bromo-5-nitropyridine-3-carboxylic acid

CAS Number	914222-92-7
PubChem CID	53411886
IUPAC Name	2-bromo-5-nitropyridine-3-carboxylic acid
Molecular Formula	C6H3BrN2O4
Molecular Weight	247.00
XLogP	1.2
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	229

SMILES

C1=C(C=NC(=C1C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H3BrN2O4/c7-5-4(6(10)11)1-3(2-8-5)9(12)13/h1-2H,(H,10,11)

InChIKey

TZALTHQYRONLQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 914222-92-7

CID: 53411886

Formula: C6H3BrN2O4

MW: 247.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.00
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	245.92762
Monoisotopic Mass	245.92762
Topological Polar Surface Area	96 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	229
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
sc-275033	2-methyl-5-nitronicotinic acid
sc-265726	2-Hydroxy-5-nitronicotinic acid
sc-265593	2-Chloro-5-nitronicotinic acid
sc-325829	6-Chloro-5-nitronicotinic acid
sc-325829A	6-Chloro-5-nitronicotinic acid
sc-317174A	4,6-Dichloro-5-nitronicotinic acid
sc-317174	4,6-Dichloro-5-nitronicotinic acid
sc-336441	4-hydroxy-6-methyl-5-nitronicotinic acid
sc-267701	4-Nitronicotinic acid N-oxide
sc-318347	5-Bromo-2-piperidinonicotinic acid

Catalog	Name
OR55469-01	2-Bromo-5-nitronicotinic acid
abx185651-01	5-Nitronicotinic Acid
230417-01	2-Hydroxy-5-nitronicotinic acid
OR110863	2-Ethoxy-5-nitronicotinic acid
OR80969-01	2-Amino-5-nitronicotinic acid
SBA95938	2-Chloro-5-nitronicotinic acid
abx181833-01	2-Nitronicotinic Acid
PDA48806	6-Amino-5-nitronicotinic acid
abx183795-01	6-Hydroxy-5-nitronicotinic acid
abx182298-01	6-Chloro-5-nitronicotinic acid