6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine

C12H13F2IN2O3S — CID 170434807

IUPAC6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)S(=O)(=O)c1cn2c(I)cnc2cc1OC(F)F
InChIInChI=1S/C12H13F2IN2O3S/c1-12(2,3)21(18,19)8-6-17-9(15)5-16-10(17)4-7(8)20-11(13)14/h4-6,11H,1-3H3
InChIKeyNIWPEIZFXQNMLZ-UHFFFAOYSA-N
MW430.21 g/mol
LogP3.11
Rot. Bonds3

About 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine

6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine (PubChem CID 170434807) has the molecular formula C12H13F2IN2O3S and a molecular weight of 430.21 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine
PubChem CID170434807
Molecular FormulaC12H13F2IN2O3S
Molecular Weight430.21 g/mol
Exact Mass429.97
IUPAC Name6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)S(=O)(=O)c1cn2c(I)cnc2cc1OC(F)F
InChIInChI=1S/C12H13F2IN2O3S/c1-12(2,3)21(18,19)8-6-17-9(15)5-16-10(17)4-7(8)20-11(13)14/h4-6,11H,1-3H3
InChIKeyNIWPEIZFXQNMLZ-UHFFFAOYSA-N
XLogP3.11
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine?
The IUPAC name of 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine (CID 170434807) is 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine is CC(C)(C)S(=O)(=O)c1cn2c(I)cnc2cc1OC(F)F.
What is the InChIKey of 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine?
The InChIKey is NIWPEIZFXQNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2IN2O3S/c1-12(2,3)21(18,19)8-6-17-9(15)5-16-10(17)4-7(8)20-11(13)14/h4-6,11H,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine?
6-tert-butylsulfonyl-7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 430.21 g/mol, XLogP of 3.11, 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)-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 170434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).