2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine

C15H21FN2 — CID 167350132

IUPAC2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2cccc(F)n2c1C(C)(C)C
InChIInChI=1S/C15H21FN2/c1-14(2,3)12-13(15(4,5)6)18-10(16)8-7-9-11(18)17-12/h7-9H,1-6H3
InChIKeyYMEWXTZNGFXYHV-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.07
Rot. Bonds

About 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine

2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine (PubChem CID 167350132) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine
PubChem CID167350132
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2cccc(F)n2c1C(C)(C)C
InChIInChI=1S/C15H21FN2/c1-14(2,3)12-13(15(4,5)6)18-10(16)8-7-9-11(18)17-12/h7-9H,1-6H3
InChIKeyYMEWXTZNGFXYHV-UHFFFAOYSA-N
XLogP4.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine?
The IUPAC name of 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine (CID 167350132) is 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine?
The canonical SMILES for 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine is CC(C)(C)c1nc2cccc(F)n2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine?
The InChIKey is YMEWXTZNGFXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-14(2,3)12-13(15(4,5)6)18-10(16)8-7-9-11(18)17-12/h7-9H,1-6H3.
What are the key properties of 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine?
2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine has a molecular weight of 248.34 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-fluoroimidazo[1,2-a]pyridine is sourced from PubChem (CID 167350132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).