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

C11H12BrN3 — CID 117260068

IUPAC3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
SMILESCC(C)n1c(-c2cccnc2)cnc1Br
InChIInChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-4-3-5-13-6-9/h3-8H,1-2H3
InChIKeySFBFPEFSJZBPTN-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.29
Rot. Bonds2

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

3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine (PubChem CID 117260068) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
PubChem CID117260068
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
SMILESCC(C)n1c(-c2cccnc2)cnc1Br
InChIInChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-4-3-5-13-6-9/h3-8H,1-2H3
InChIKeySFBFPEFSJZBPTN-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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Related Compounds

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3-(4-propan-2-ylsulfanylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The IUPAC name of 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine (CID 117260068) is 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine.
What is the SMILES notation for 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The canonical SMILES for 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine is CC(C)n1c(-c2cccnc2)cnc1Br.
What is the InChIKey of 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
The InChIKey is SFBFPEFSJZBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(2)15-10(7-14-11(15)12)9-4-3-5-13-6-9/h3-8H,1-2H3.
What are the key properties of 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine?
3-(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 3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine is sourced from PubChem (CID 117260068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).