8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C23H15FN2O — CID 90121582

IUPAC8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4)ccn3)cccc12
InChIInChI=1S/C23H15FN2O/c1-14-8-9-19-18-6-3-7-20(22(18)27-23(19)26-14)21-13-16(10-11-25-21)15-4-2-5-17(24)12-15/h2-13H,1H3
InChIKeyVFGNCDOFVXKGBT-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.16
Rot. Bonds2

About 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90121582) has the molecular formula C23H15FN2O and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90121582
Molecular FormulaC23H15FN2O
Molecular Weight354.38 g/mol
Exact Mass354.12
IUPAC Name8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4)ccn3)cccc12
InChIInChI=1S/C23H15FN2O/c1-14-8-9-19-18-6-3-7-20(22(18)27-23(19)26-14)21-13-16(10-11-25-21)15-4-2-5-17(24)12-15/h2-13H,1H3
InChIKeyVFGNCDOFVXKGBT-UHFFFAOYSA-N
XLogP6.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 90121582) is 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4)ccn3)cccc12.
What is the InChIKey of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is VFGNCDOFVXKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O/c1-14-8-9-19-18-6-3-7-20(22(18)27-23(19)26-14)21-13-16(10-11-25-21)15-4-2-5-17(24)12-15/h2-13H,1H3.
What are the key properties of 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 354.38 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90121582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).