5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine

C34H37F2NO2 — CID 19700158

IUPAC5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)nc2)cc1F
InChIInChI=1S/C34H37F2NO2/c1-2-3-4-5-6-7-8-12-21-38-34-20-16-27(22-32(34)36)28-15-19-33(37-24-28)30-18-17-29(23-31(30)35)39-25-26-13-10-9-11-14-26/h9-11,13-20,22-24H,2-8,12,21,25H2,1H3
InChIKeyPEGFIUNWTOEWSS-UHFFFAOYSA-N
MW529.67 g/mol
LogP9.79
Rot. Bonds15

About 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine

5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine (PubChem CID 19700158) has the molecular formula C34H37F2NO2 and a molecular weight of 529.67 g/mol. Its IUPAC name is 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine
PubChem CID19700158
Molecular FormulaC34H37F2NO2
Molecular Weight529.67 g/mol
Exact Mass529.28
IUPAC Name5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)nc2)cc1F
InChIInChI=1S/C34H37F2NO2/c1-2-3-4-5-6-7-8-12-21-38-34-20-16-27(22-32(34)36)28-15-19-33(37-24-28)30-18-17-29(23-31(30)35)39-25-26-13-10-9-11-14-26/h9-11,13-20,22-24H,2-8,12,21,25H2,1H3
InChIKeyPEGFIUNWTOEWSS-UHFFFAOYSA-N
XLogP9.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.67
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine?
The IUPAC name of 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine (CID 19700158) is 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine is CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCc4ccccc4)cc3F)nc2)cc1F.
What is the InChIKey of 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine?
The InChIKey is PEGFIUNWTOEWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F2NO2/c1-2-3-4-5-6-7-8-12-21-38-34-20-16-27(22-32(34)36)28-15-19-33(37-24-28)30-18-17-29(23-31(30)35)39-25-26-13-10-9-11-14-26/h9-11,13-20,22-24H,2-8,12,21,25H2,1H3.
What are the key properties of 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine?
5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine has a molecular weight of 529.67 g/mol, XLogP of 9.79, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-decoxy-3-fluorophenyl)-2-(2-fluoro-4-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 19700158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).