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

C13H13BrF2N2O — CID 154655934

IUPAC6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESFC(F)c1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C13H13BrF2N2O/c14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16/h5-8,13H,1-4H2
InChIKeyKNJJNIDTWWFNDU-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.93
Rot. Bonds2

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

6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine (PubChem CID 154655934) has the molecular formula C13H13BrF2N2O and a molecular weight of 331.16 g/mol. Its IUPAC name is 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine
PubChem CID154655934
Molecular FormulaC13H13BrF2N2O
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC Name6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine
SMILESFC(F)c1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C13H13BrF2N2O/c14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16/h5-8,13H,1-4H2
InChIKeyKNJJNIDTWWFNDU-UHFFFAOYSA-N
XLogP3.93
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine (CID 154655934) is 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine is FC(F)c1cc2nc(C3CCOCC3)cn2cc1Br.
What is the InChIKey of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is KNJJNIDTWWFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2O/c14-10-6-18-7-11(8-1-3-19-4-2-8)17-12(18)5-9(10)13(15)16/h5-8,13H,1-4H2.
What are the key properties of 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine?
6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 331.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(difluoromethyl)-2-(oxan-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 154655934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).