1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one

C12H10F3NO2 — CID 91266384

IUPAC1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2c(C(F)(F)F)cc(C)nc2o1
InChIInChI=1S/C12H10F3NO2/c1-3-9(17)10-5-7-8(12(13,14)15)4-6(2)16-11(7)18-10/h4-5H,3H2,1-2H3
InChIKeyIOWGSSCQKBASRP-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.75
Rot. Bonds2

About 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one

1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one (PubChem CID 91266384) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one
PubChem CID91266384
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2c(C(F)(F)F)cc(C)nc2o1
InChIInChI=1S/C12H10F3NO2/c1-3-9(17)10-5-7-8(12(13,14)15)4-6(2)16-11(7)18-10/h4-5H,3H2,1-2H3
InChIKeyIOWGSSCQKBASRP-UHFFFAOYSA-N
XLogP3.75
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The IUPAC name of 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one (CID 91266384) is 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one.
What is the SMILES notation for 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The canonical SMILES for 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one is CCC(=O)c1cc2c(C(F)(F)F)cc(C)nc2o1.
What is the InChIKey of 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
The InChIKey is IOWGSSCQKBASRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-3-9(17)10-5-7-8(12(13,14)15)4-6(2)16-11(7)18-10/h4-5H,3H2,1-2H3.
What are the key properties of 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one?
1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one has a molecular weight of 257.21 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]propan-1-one is sourced from PubChem (CID 91266384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).