6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine

C12H12BrFN2O — CID 154655165

IUPAC6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESFc1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C12H12BrFN2O/c13-9-6-16-7-11(8-1-3-17-4-2-8)15-12(16)5-10(9)14/h5-8H,1-4H2
InChIKeyAWQHGCZQSFPMJM-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.13
Rot. Bonds1

About 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine

6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine (PubChem CID 154655165) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine
PubChem CID154655165
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESFc1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C12H12BrFN2O/c13-9-6-16-7-11(8-1-3-17-4-2-8)15-12(16)5-10(9)14/h5-8H,1-4H2
InChIKeyAWQHGCZQSFPMJM-UHFFFAOYSA-N
XLogP3.13
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine (CID 154655165) is 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine is Fc1cc2nc(C3CCOCC3)cn2cc1Br.
What is the InChIKey of 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is AWQHGCZQSFPMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c13-9-6-16-7-11(8-1-3-17-4-2-8)15-12(16)5-10(9)14/h5-8H,1-4H2.
What are the key properties of 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 299.14 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2-(oxan-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 154655165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).