7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine

C24H22FNO5 — CID 66779798

IUPAC7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCCOc1cccc(F)c1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C24H22FNO5/c1-5-30-18-8-6-7-16(25)22(18)15-9-10-26-17-13-19(31-23(15)17)14-11-20(27-2)24(29-4)21(12-14)28-3/h6-13H,5H2,1-4H3
InChIKeyHIWQQSSMAGWIPH-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.73
Rot. Bonds7

About 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine

7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine (PubChem CID 66779798) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
PubChem CID66779798
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCCOc1cccc(F)c1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C24H22FNO5/c1-5-30-18-8-6-7-16(25)22(18)15-9-10-26-17-13-19(31-23(15)17)14-11-20(27-2)24(29-4)21(12-14)28-3/h6-13H,5H2,1-4H3
InChIKeyHIWQQSSMAGWIPH-UHFFFAOYSA-N
XLogP5.73
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The IUPAC name of 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine (CID 66779798) is 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine is CCOc1cccc(F)c1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12.
What is the InChIKey of 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
The InChIKey is HIWQQSSMAGWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-5-30-18-8-6-7-16(25)22(18)15-9-10-26-17-13-19(31-23(15)17)14-11-20(27-2)24(29-4)21(12-14)28-3/h6-13H,5H2,1-4H3.
What are the key properties of 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine?
7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine has a molecular weight of 423.44 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 66779798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).