2,5-Dibromoisonicotinonitrile

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CAS Number

1214332-11-2

MDL Number

MFCD13185480

Smiles

C1 (cnc (cc1C#N) Br) Br

Chemical Information

2,5-Dibromopyridine-4-carbonitrile

CAS Number	1214332-11-2
PubChem CID	118844727
IUPAC Name	2,5-dibromopyridine-4-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=C(C(=CN=C1Br)Br)C#N

InChI

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

InChIKey

DOZJLQDHWWHDKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1214332-11-2

CID: 118844727

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
OR72126-01	3,5-Dibromoisonicotinonitrile
OR73559-01	2,6-Dibromoisonicotinonitrile
OR1079314	5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079313	5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079310	5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1042721-01	[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-01	5,5''-Diiodo-2,2':5',2''-Terthiophene
OR92625-01	5,5''-Dibromo-2,2':5',2''-terthiophene
OR1051600	5,5'''-Di-n-octyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1053628-01	2,2,5,5-Tetramethylcyclopentanone

Catalog	Name
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde
sc-474109	2,2′:5′,2′′:5′′,2′′′-Quaterthiophene
FT172401-01	2,2,5,5-Tetramethyloxolane
JH160241	2,2',5,5'-Tetrachlorobenzidine
sc-265954	2,2',5,5'-Tetramethylbiphenyl
419550-01	2,2',5,5'-Tetrachlorobiphenyl
EAA37887-01	1, 2, 5-Oxadithiolane 2, 2, 5, 5-tetraoxide
JH464578	2,2,5,5-tetramethyl-1,2,5-oxadisilolane
sc-481796	5''-Bromo-2,2:5',2''-terthiophene-5-carboxaldehyde