8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine

C12H15FN2 — CID 166563481

IUPAC8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(C(C)(C)C)c2ncc(F)n12
InChIInChI=1S/C12H15FN2/c1-8-5-6-9(12(2,3)4)11-14-7-10(13)15(8)11/h5-7H,1-4H3
InChIKeyROEHBFZHIYMVFP-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.08
Rot. Bonds

About 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine

8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine (PubChem CID 166563481) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine
PubChem CID166563481
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine
SMILESCc1ccc(C(C)(C)C)c2ncc(F)n12
InChIInChI=1S/C12H15FN2/c1-8-5-6-9(12(2,3)4)11-14-7-10(13)15(8)11/h5-7H,1-4H3
InChIKeyROEHBFZHIYMVFP-UHFFFAOYSA-N
XLogP3.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine (CID 166563481) is 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine is Cc1ccc(C(C)(C)C)c2ncc(F)n12.
What is the InChIKey of 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine?
The InChIKey is ROEHBFZHIYMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8-5-6-9(12(2,3)4)11-14-7-10(13)15(8)11/h5-7H,1-4H3.
What are the key properties of 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine?
8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine has a molecular weight of 206.26 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 166563481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).