[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol

C25H16F2N2O2 — CID 11704337

IUPAC[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol
SMILESOCc1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C25H16F2N2O2/c26-18-5-1-15(2-6-18)22-21-13-20(14-30)31-25(21)29-24(17-3-7-19(27)8-4-17)23(22)16-9-11-28-12-10-16/h1-13,30H,14H2
InChIKeyPMGFEFRCJIEZNS-UHFFFAOYSA-N
MW414.41 g/mol
LogP5.99
Rot. Bonds4

About [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol

[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol (PubChem CID 11704337) has the molecular formula C25H16F2N2O2 and a molecular weight of 414.41 g/mol. Its IUPAC name is [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol
PubChem CID11704337
Molecular FormulaC25H16F2N2O2
Molecular Weight414.41 g/mol
Exact Mass414.12
IUPAC Name[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol
SMILESOCc1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1
InChIInChI=1S/C25H16F2N2O2/c26-18-5-1-15(2-6-18)22-21-13-20(14-30)31-25(21)29-24(17-3-7-19(27)8-4-17)23(22)16-9-11-28-12-10-16/h1-13,30H,14H2
InChIKeyPMGFEFRCJIEZNS-UHFFFAOYSA-N
XLogP5.99
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol (CID 11704337) is [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol is OCc1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2o1.
What is the InChIKey of [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol?
The InChIKey is PMGFEFRCJIEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N2O2/c26-18-5-1-15(2-6-18)22-21-13-20(14-30)31-25(21)29-24(17-3-7-19(27)8-4-17)23(22)16-9-11-28-12-10-16/h1-13,30H,14H2.
What are the key properties of [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol?
[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol has a molecular weight of 414.41 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(4-fluorophenyl)-5-pyridin-4-ylfuro[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 11704337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).