2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine

C23H13F2NO — CID 90138354

IUPAC2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1F
InChIInChI=1S/C23H13F2NO/c24-19-9-8-14(12-20(19)25)15-10-11-26-21(13-15)18-6-3-5-17-16-4-1-2-7-22(16)27-23(17)18/h1-13H
InChIKeyVHQKLSGXPZTYPD-UHFFFAOYSA-N
MW357.36 g/mol
LogP6.59
Rot. Bonds2

About 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine

2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine (PubChem CID 90138354) has the molecular formula C23H13F2NO and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine
PubChem CID90138354
Molecular FormulaC23H13F2NO
Molecular Weight357.36 g/mol
Exact Mass357.10
IUPAC Name2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1F
InChIInChI=1S/C23H13F2NO/c24-19-9-8-14(12-20(19)25)15-10-11-26-21(13-15)18-6-3-5-17-16-4-1-2-7-22(16)27-23(17)18/h1-13H
InChIKeyVHQKLSGXPZTYPD-UHFFFAOYSA-N
XLogP6.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine (CID 90138354) is 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine is Fc1ccc(-c2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1F.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine?
The InChIKey is VHQKLSGXPZTYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2NO/c24-19-9-8-14(12-20(19)25)15-10-11-26-21(13-15)18-6-3-5-17-16-4-1-2-7-22(16)27-23(17)18/h1-13H.
What are the key properties of 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine?
2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine has a molecular weight of 357.36 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine is sourced from PubChem (CID 90138354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).