2,4-Dibromonicotinonitrile

CAT: 0127-OR94941-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94941-01Size:250 mg

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CAS Number

1152617-14-5

MDL Number

MFCD22041881

Purity

95%

Smiles

C1=C(C(=C(Br)N=C1)C#N)Br

Chemical Information

2,4-Dibromopyridine-3-carbonitrile

CAS Number	1152617-14-5
PubChem CID	57459591
IUPAC Name	2,4-dibromopyridine-3-carbonitrile
Molecular Formula	C6H2Br2N2
Molecular Weight	261.90
XLogP	2.3
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

SMILES

C1=CN=C(C(=C1Br)C#N)Br

InChI

InChI=1S/C6H2Br2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H

InChIKey

QQRBWXRCIWAXAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1152617-14-5

CID: 57459591

Formula: C6H2Br2N2

MW: 261.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.90
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	261.85642
Monoisotopic Mass	259.85847
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162
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
OR81255-01	2,5-Dibromonicotinonitrile
OR1038331-01	5,6-Dibromonicotinonitrile
OR510050	4,6-Dibromopicolinonitrile
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline

Catalog	Name
420100-01	2,4-Dibromonicotinonitrile
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane
FT66823-01	2,2',4,4'-Tetramethylbenzophenone