8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C26H20F2N2O — CID 90138467

About 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138467) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 90138467
• Molecular Formula: C26H20F2N2O
• Molecular Weight: 414.46 g/mol
• Exact Mass: 414.15
• IUPAC Name: 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ncccc1-c1ccc(F)cc1F
• InChI: InChI=1S/C26H20F2N2O/c1-14(2)22-11-10-20-19-8-6-15(3)23(25(19)31-26(20)30-22)24-18(5-4-12-29-24)17-9-7-16(27)13-21(17)28/h4-14H,1-3H3
• InChIKey: DAIZWKXDZJHAHK-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.46
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 90138467) is 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ncccc1-c1ccc(F)cc1F.

What is the InChIKey of 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is DAIZWKXDZJHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c1-14(2)22-11-10-20-19-8-6-15(3)23(25(19)31-26(20)30-22)24-18(5-4-12-29-24)17-9-7-16(27)13-21(17)28/h4-14H,1-3H3.

What are the key properties of 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 414.46 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).