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

C23H14F2N2O — CID 90121594

IUPAC8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4F)ccn3)cccc12
InChIInChI=1S/C23H14F2N2O/c1-13-8-9-17-16-5-2-6-18(22(16)28-23(17)27-13)20-12-14(10-11-26-20)15-4-3-7-19(24)21(15)25/h2-12H,1H3
InChIKeyJJKQUDDFJYTUSE-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.30
Rot. Bonds2

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

8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90121594) has the molecular formula C23H14F2N2O and a molecular weight of 372.37 g/mol. Its IUPAC name is 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90121594
Molecular FormulaC23H14F2N2O
Molecular Weight372.37 g/mol
Exact Mass372.11
IUPAC Name8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4F)ccn3)cccc12
InChIInChI=1S/C23H14F2N2O/c1-13-8-9-17-16-5-2-6-18(22(16)28-23(17)27-13)20-12-14(10-11-26-20)15-4-3-7-19(24)21(15)25/h2-12H,1H3
InChIKeyJJKQUDDFJYTUSE-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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Related Compounds

8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-chloro-4-(2,3-difluorophenyl)pyridine;8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;2-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 161232867
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;iridium;2-phenylpyridine
CID 162503281
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138452
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 90121594) is 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4cccc(F)c4F)ccn3)cccc12.
What is the InChIKey of 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is JJKQUDDFJYTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N2O/c1-13-8-9-17-16-5-2-6-18(22(16)28-23(17)27-13)20-12-14(10-11-26-20)15-4-3-7-19(24)21(15)25/h2-12H,1H3.
What are the key properties of 8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(2,3-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-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90121594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).