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

C23H14F2N2O — CID 90121557

IUPAC8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4F)ccn3)cccc12
InChIInChI=1S/C23H14F2N2O/c1-13-5-7-18-17-3-2-4-19(22(17)28-23(18)27-13)21-11-14(9-10-26-21)16-8-6-15(24)12-20(16)25/h2-12H,1H3
InChIKeyAFBWXJDOTMSSNV-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.30
Rot. Bonds2

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

8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90121557) has the molecular formula C23H14F2N2O and a molecular weight of 372.37 g/mol. Its IUPAC name is 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90121557
Molecular FormulaC23H14F2N2O
Molecular Weight372.37 g/mol
Exact Mass372.11
IUPAC Name8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4F)ccn3)cccc12
InChIInChI=1S/C23H14F2N2O/c1-13-5-7-18-17-3-2-4-19(22(17)28-23(18)27-13)21-11-14(9-10-26-21)16-8-6-15(24)12-20(16)25/h2-12H,1H3
InChIKeyAFBWXJDOTMSSNV-UHFFFAOYSA-N
XLogP6.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 90121557) is 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4F)ccn3)cccc12.
What is the InChIKey of 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AFBWXJDOTMSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O/c1-13-5-7-18-17-3-2-4-19(22(17)28-23(18)27-13)21-11-14(9-10-26-21)16-8-6-15(24)12-20(16)25/h2-12H,1H3.
What are the key properties of 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 372.37 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90121557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).