6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one

C11H12F3NO2 — CID 59284081

IUPAC6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)OCCC2
InChIInChI=1S/C11H12F3NO2/c1-6-8(11(12,13)14)7-4-3-5-17-10(7)15(2)9(6)16/h3-5H2,1-2H3
InChIKeyWZUCJOIIVCSJEN-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.04
Rot. Bonds

About 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one

6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one (PubChem CID 59284081) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
PubChem CID59284081
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)c2c(n(C)c1=O)OCCC2
InChIInChI=1S/C11H12F3NO2/c1-6-8(11(12,13)14)7-4-3-5-17-10(7)15(2)9(6)16/h3-5H2,1-2H3
InChIKeyWZUCJOIIVCSJEN-UHFFFAOYSA-N
XLogP2.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The IUPAC name of 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one (CID 59284081) is 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one.
What is the SMILES notation for 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The canonical SMILES for 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one is Cc1c(C(F)(F)F)c2c(n(C)c1=O)OCCC2.
What is the InChIKey of 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
The InChIKey is WZUCJOIIVCSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6-8(11(12,13)14)7-4-3-5-17-10(7)15(2)9(6)16/h3-5H2,1-2H3.
What are the key properties of 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one?
6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one has a molecular weight of 247.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-one is sourced from PubChem (CID 59284081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).