1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile

C11H3BrN6 — CID 114202972

IUPAC1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncc(Br)cc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C11H3BrN6/c12-7-1-10(8(2-13)16-5-7)18-6-17-9(3-14)11(18)4-15/h1,5-6H
InChIKeyDMSHZIDUQVOJSV-UHFFFAOYSA-N
MW299.09 g/mol
LogP1.64
Rot. Bonds1

About 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile

1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile (PubChem CID 114202972) has the molecular formula C11H3BrN6 and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
PubChem CID114202972
Molecular FormulaC11H3BrN6
Molecular Weight299.09 g/mol
Exact Mass297.96
IUPAC Name1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncc(Br)cc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C11H3BrN6/c12-7-1-10(8(2-13)16-5-7)18-6-17-9(3-14)11(18)4-15/h1,5-6H
InChIKeyDMSHZIDUQVOJSV-UHFFFAOYSA-N
XLogP1.64
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile
CID 167443591
5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile
CID 90456532
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
CID 104606645
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-[2-cyano-4-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944700

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile (CID 114202972) is 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile is N#Cc1ncc(Br)cc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile?
The InChIKey is DMSHZIDUQVOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3BrN6/c12-7-1-10(8(2-13)16-5-7)18-6-17-9(3-14)11(18)4-15/h1,5-6H.
What are the key properties of 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile?
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile has a molecular weight of 299.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 114202972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).