2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine

C11H12BrN3 — CID 117260072

IUPAC2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
SMILESCC(C)n1c(-c2ccccn2)cnc1Br
InChIInChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-5-3-4-6-13-9/h3-8H,1-2H3
InChIKeyHIGRYMJQEUAGFI-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.29
Rot. Bonds2

About 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine

2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine (PubChem CID 117260072) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
PubChem CID117260072
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
SMILESCC(C)n1c(-c2ccccn2)cnc1Br
InChIInChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-5-3-4-6-13-9/h3-8H,1-2H3
InChIKeyHIGRYMJQEUAGFI-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The IUPAC name of 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine (CID 117260072) is 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine.
What is the SMILES notation for 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The canonical SMILES for 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine is CC(C)n1c(-c2ccccn2)cnc1Br.
What is the InChIKey of 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The InChIKey is HIGRYMJQEUAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-5-3-4-6-13-9/h3-8H,1-2H3.
What are the key properties of 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine has a molecular weight of 266.14 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine is sourced from PubChem (CID 117260072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).