6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine

C12H14F2N2O3S — CID 170434762

IUPAC6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine
SMILESCC(C)(C)S(=O)(=O)c1cn2ccnc2cc1OC(F)F
InChIInChI=1S/C12H14F2N2O3S/c1-12(2,3)20(17,18)9-7-16-5-4-15-10(16)6-8(9)19-11(13)14/h4-7,11H,1-3H3
InChIKeyUBZHWHNORFOQFA-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.51
Rot. Bonds3

About 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine

6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine (PubChem CID 170434762) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine
PubChem CID170434762
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine
SMILESCC(C)(C)S(=O)(=O)c1cn2ccnc2cc1OC(F)F
InChIInChI=1S/C12H14F2N2O3S/c1-12(2,3)20(17,18)9-7-16-5-4-15-10(16)6-8(9)19-11(13)14/h4-7,11H,1-3H3
InChIKeyUBZHWHNORFOQFA-UHFFFAOYSA-N
XLogP2.51
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine (CID 170434762) is 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine is CC(C)(C)S(=O)(=O)c1cn2ccnc2cc1OC(F)F.
What is the InChIKey of 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine?
The InChIKey is UBZHWHNORFOQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c1-12(2,3)20(17,18)9-7-16-5-4-15-10(16)6-8(9)19-11(13)14/h4-7,11H,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine has a molecular weight of 304.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-7-(difluoromethoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 170434762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).