[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol

C19H12F3NO3 — CID 167962951

IUPAC[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol
SMILESOCc1cc2nc(-c3ccc(-c4ccccc4C(F)(F)F)o3)ccc2o1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)13-4-2-1-3-12(13)16-7-8-17(26-16)14-5-6-18-15(23-14)9-11(10-24)25-18/h1-9,24H,10H2
InChIKeyLRSCTZGXLNEWOY-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.27
Rot. Bonds3

About [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol

[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol (PubChem CID 167962951) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol
PubChem CID167962951
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol
SMILESOCc1cc2nc(-c3ccc(-c4ccccc4C(F)(F)F)o3)ccc2o1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)13-4-2-1-3-12(13)16-7-8-17(26-16)14-5-6-18-15(23-14)9-11(10-24)25-18/h1-9,24H,10H2
InChIKeyLRSCTZGXLNEWOY-UHFFFAOYSA-N
XLogP5.27
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol (CID 167962951) is [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol is OCc1cc2nc(-c3ccc(-c4ccccc4C(F)(F)F)o3)ccc2o1.
What is the InChIKey of [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol?
The InChIKey is LRSCTZGXLNEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)13-4-2-1-3-12(13)16-7-8-17(26-16)14-5-6-18-15(23-14)9-11(10-24)25-18/h1-9,24H,10H2.
What are the key properties of [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol?
[5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol has a molecular weight of 359.30 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]furo[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 167962951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).