4-Bromo-6-hydroxynicotinic acid

CAT: 0127-OR1071793-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071793-01Size:50 mg

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CAS Number

73027-78-8

MDL Number

MFCD21603857

Purity

95%

Smiles

O=C(O)C1=CN=C(O)C=C1Br

Chemical Information

4-Bromo-6-hydroxynicotinic acid

CAS Number	73027-78-8
PubChem CID	57345863
IUPAC Name	4-bromo-6-oxo-1H-pyridine-3-carboxylic acid
Molecular Formula	C6H4BrNO3
Molecular Weight	218.00
XLogP	-0.1
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	280

SMILES

C1=C(C(=CNC1=O)C(=O)O)Br

InChI

InChI=1S/C6H4BrNO3/c7-4-1-5(9)8-2-3(4)6(10)11/h1-2H,(H,8,9)(H,10,11)

InChIKey

LOXKNBSOLALQFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73027-78-8

CID: 57345863

Formula: C6H4BrNO3

MW: 218.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.00
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	216.93746
Monoisotopic Mass	216.93746
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	280
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
OR78001-01	6-Bromo-2-hydroxynicotinic acid
OR6265-01	5-Bromo-6-hydroxynicotinic acid
OR73058-01	5-Bromo-4-hydroxynicotinic acid
OR43570-01	2-Bromo-4-hydroxynicotinic acid
OR5072-01	6-Hydroxynicotinic acid
OR300592	5-Bromo-4,6-dimethyl-2-hydroxynicotinic acid
OR1068461-01	6-Chloro-4-hydroxynicotinic acid
OR928671-01	4-Chloro-6-hydroxynicotinic acid
BUP19483	6-Hydroxynicotinic acid
OR27431-01	4-Hydroxynicotinic acid

Catalog	Name
435765-01	5-Bromo-6-hydroxynicotinic acid
sc-321598	2-Bromo-4-hydroxynicotinic acid
B7873-500	6-Hydroxynicotinic acid
432775-01	4-Hydroxynicotinic Acid
434462-01	5- (4-Chlorophenyl) -6-hydroxynicotinic acid
HY-W001996R-01	6-Hydroxynicotinic acid (Standard)
435425-01	5-Bromo-2-hydroxynicotinic acid
TRC-B446755-500MG	4-Hydroxynicotinic Acid Hydrochloride
FXC03776-01	2- (Difluoromethyl) -6-hydroxynicotinic acid
sc-233333	5-Chloro-6-hydroxynicotinic acid