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

C10H3BrClN5 — CID 103583527

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncc(Br)cc2Cl)c1C#N
InChIInChI=1S/C10H3BrClN5/c11-6-1-7(12)10(15-4-6)17-5-16-8(2-13)9(17)3-14/h1,4-5H
InChIKeyVAXRPMKEFICZLQ-UHFFFAOYSA-N
MW308.53 g/mol
LogP2.43
Rot. Bonds1

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

1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile (PubChem CID 103583527) has the molecular formula C10H3BrClN5 and a molecular weight of 308.53 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
PubChem CID103583527
Molecular FormulaC10H3BrClN5
Molecular Weight308.53 g/mol
Exact Mass306.93
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncc(Br)cc2Cl)c1C#N
InChIInChI=1S/C10H3BrClN5/c11-6-1-7(12)10(15-4-6)17-5-16-8(2-13)9(17)3-14/h1,4-5H
InChIKeyVAXRPMKEFICZLQ-UHFFFAOYSA-N
XLogP2.43
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594850
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595880
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
5-bromo-3-chloro-2-(2-methylimidazol-1-yl)pyridine
CID 103583489
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-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
CID 112595760

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile (CID 103583527) is 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ncc(Br)cc2Cl)c1C#N.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile?
The InChIKey is VAXRPMKEFICZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClN5/c11-6-1-7(12)10(15-4-6)17-5-16-8(2-13)9(17)3-14/h1,4-5H.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile?
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile has a molecular weight of 308.53 g/mol, XLogP of 2.43, 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-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 103583527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).