6-Bromonicotinic acid

CAT: 0127-OR0182-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR0182-01Size:5 g

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CAS Number

6311-35-9

Synonyms

6-Bromopyridine-3-carboxylic acid, 2-Bromo-5-carboxypyridine

MDL Number

MFCD01927100

Purity

=95%

Smiles

OC(=O)c1ccc(Br)nc1

Chemical Information

6-Bromonicotinic acid

CAS Number	6311-35-9
PubChem CID	238932
IUPAC Name	6-bromopyridine-3-carboxylic acid
Molecular Formula	C6H4BrNO2
Molecular Weight	202.01
XLogP	2.7
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	140

SMILES

C1=CC(=NC=C1C(=O)O)Br

InChI

InChI=1S/C6H4BrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

InChIKey

JDJBRMNTXORYEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6311-35-9

CID: 238932

Formula: C6H4BrNO2

MW: 202.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.01
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	200.94254
Monoisotopic Mass	200.94254
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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
OR1057724-01	6-Amino-2-bromonicotinic acid
OR16907-01	6-Amino-5-bromonicotinic acid
OR28916-01	5-Bromonicotinic acid
OR4493-01	2-Bromonicotinic acid
OR1004627	4-Bromonicotinic acid hydrobromide
OR94906-01	4-Amino-5-bromonicotinic acid
OR82407	4-Amino-2-bromonicotinic acid
OR1871-01	2-Amino-5-bromonicotinic acid
OR303682	2- (Benzylamino) -5-bromonicotinic acid
OR510100	3-Amino-6-bromopicolinic acid

Catalog	Name
GX2922-25g	6-Bromonicotinic acid
438221-01	6-Bromonicotinic acid ethyl ester
FB00201-01	5-Bromonicotinic acid
265768-01	4-Bromonicotinic acid
416363-01	2-Bromonicotinic acid
HY-Y1013R-01	5-Bromonicotinic acid (Standard)
430149-01	4-Amino-2-bromonicotinic Acid
sc-274236	2-Amino-5-bromonicotinic acid
232993-01	4-Bromonicotinic acid 98+% (GC)
JH694438	4-Amino-5-bromonicotinic acid