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

C11H6BrN5 — CID 112595882

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESCc1cc(Br)cnc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C11H6BrN5/c1-7-2-8(12)5-15-11(7)17-6-16-9(3-13)10(17)4-14/h2,5-6H,1H3
InChIKeyVXDPXVSJFUOHGN-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.08
Rot. Bonds1

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

1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595882) has the molecular formula C11H6BrN5 and a molecular weight of 288.11 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
PubChem CID112595882
Molecular FormulaC11H6BrN5
Molecular Weight288.11 g/mol
Exact Mass286.98
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESCc1cc(Br)cnc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C11H6BrN5/c1-7-2-8(12)5-15-11(7)17-6-16-9(3-13)10(17)4-14/h2,5-6H,1H3
InChIKeyVXDPXVSJFUOHGN-UHFFFAOYSA-N
XLogP2.08
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733751
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
1-[4-(aminomethyl)-2-methylphenyl]imidazole-4,5-dicarbonitrile
CID 112595275
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
CID 104606645
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-4,5-dicarbonitrile
CID 104733750
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760
1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594850

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile (CID 112595882) is 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile is Cc1cc(Br)cnc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The InChIKey is VXDPXVSJFUOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN5/c1-7-2-8(12)5-15-11(7)17-6-16-9(3-13)10(17)4-14/h2,5-6H,1H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile?
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile has a molecular weight of 288.11 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).