5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine

C23H23F2NO — CID 3092191

IUPAC5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)cn2)cc1
InChIInChI=1S/C23H23F2NO/c1-2-3-4-5-17-6-8-19(9-7-17)22-15-12-20(16-26-22)18-10-13-21(14-11-18)27-23(24)25/h6-16,23H,2-5H2,1H3
InChIKeyMNLNQPFQYNUZDA-UHFFFAOYSA-N
MW367.44 g/mol
LogP6.75
Rot. Bonds8

About 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine

5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine (PubChem CID 3092191) has the molecular formula C23H23F2NO and a molecular weight of 367.44 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine
PubChem CID3092191
Molecular FormulaC23H23F2NO
Molecular Weight367.44 g/mol
Exact Mass367.17
IUPAC Name5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)cn2)cc1
InChIInChI=1S/C23H23F2NO/c1-2-3-4-5-17-6-8-19(9-7-17)22-15-12-20(16-26-22)18-10-13-21(14-11-18)27-23(24)25/h6-16,23H,2-5H2,1H3
InChIKeyMNLNQPFQYNUZDA-UHFFFAOYSA-N
XLogP6.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine (CID 3092191) is 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine is CCCCCc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)cn2)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine?
The InChIKey is MNLNQPFQYNUZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO/c1-2-3-4-5-17-6-8-19(9-7-17)22-15-12-20(16-26-22)18-10-13-21(14-11-18)27-23(24)25/h6-16,23H,2-5H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine?
5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine has a molecular weight of 367.44 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-2-(4-pentylphenyl)pyridine is sourced from PubChem (CID 3092191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).