2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine

C25H25NO7 — CID 66779394

IUPAC2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC)c4OC)c3o2)c(OC)c1OC
InChIInChI=1S/C25H25NO7/c1-27-18-9-7-14(22(29-3)24(18)31-5)15-11-12-26-17-13-20(33-21(15)17)16-8-10-19(28-2)25(32-6)23(16)30-4/h7-13H,1-6H3
InChIKeyIKOLDBCBWKXZFA-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.21
Rot. Bonds8

About 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine

2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine (PubChem CID 66779394) has the molecular formula C25H25NO7 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine
PubChem CID66779394
Molecular FormulaC25H25NO7
Molecular Weight451.48 g/mol
Exact Mass451.16
IUPAC Name2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC)c4OC)c3o2)c(OC)c1OC
InChIInChI=1S/C25H25NO7/c1-27-18-9-7-14(22(29-3)24(18)31-5)15-11-12-26-17-13-20(33-21(15)17)16-8-10-19(28-2)25(32-6)23(16)30-4/h7-13H,1-6H3
InChIKeyIKOLDBCBWKXZFA-UHFFFAOYSA-N
XLogP5.21
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine?
The IUPAC name of 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine (CID 66779394) is 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine is COc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC)c4OC)c3o2)c(OC)c1OC.
What is the InChIKey of 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine?
The InChIKey is IKOLDBCBWKXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO7/c1-27-18-9-7-14(22(29-3)24(18)31-5)15-11-12-26-17-13-20(33-21(15)17)16-8-10-19(28-2)25(32-6)23(16)30-4/h7-13H,1-6H3.
What are the key properties of 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine?
2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine has a molecular weight of 451.48 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,3,4-trimethoxyphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 66779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).