8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C24H17FN2O — CID 90138339

IUPAC8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)c(C)ccc12
InChIInChI=1S/C24H17FN2O/c1-14-3-9-19-20-10-4-15(2)27-24(20)28-23(19)22(14)21-13-17(11-12-26-21)16-5-7-18(25)8-6-16/h3-13H,1-2H3
InChIKeyOCSBVEFGLFASDT-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.47
Rot. Bonds2

About 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138339) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138339
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)c(C)ccc12
InChIInChI=1S/C24H17FN2O/c1-14-3-9-19-20-10-4-15(2)27-24(20)28-23(19)22(14)21-13-17(11-12-26-21)16-5-7-18(25)8-6-16/h3-13H,1-2H3
InChIKeyOCSBVEFGLFASDT-UHFFFAOYSA-N
XLogP6.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 90138339) is 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)c(C)ccc12.
What is the InChIKey of 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is OCSBVEFGLFASDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c1-14-3-9-19-20-10-4-15(2)27-24(20)28-23(19)22(14)21-13-17(11-12-26-21)16-5-7-18(25)8-6-16/h3-13H,1-2H3.
What are the key properties of 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 368.41 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).