5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine

C26H27F2NO — CID 130281607

IUPAC5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CO3)cn2)cc1
InChIInChI=1S/C26H27F2NO/c1-3-4-18-6-8-19(9-7-18)23-13-10-20(15-29-23)24-14-11-21(16-30-24)22-12-5-17(2)25(27)26(22)28/h5-10,12-13,15,21,24H,3-4,11,14,16H2,1-2H3
InChIKeyLXGPVGBOSKGISM-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.92
Rot. Bonds5

About 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine

5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine (PubChem CID 130281607) has the molecular formula C26H27F2NO and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine
PubChem CID130281607
Molecular FormulaC26H27F2NO
Molecular Weight407.50 g/mol
Exact Mass407.21
IUPAC Name5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine
SMILESCCCc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CO3)cn2)cc1
InChIInChI=1S/C26H27F2NO/c1-3-4-18-6-8-19(9-7-18)23-13-10-20(15-29-23)24-14-11-21(16-30-24)22-12-5-17(2)25(27)26(22)28/h5-10,12-13,15,21,24H,3-4,11,14,16H2,1-2H3
InChIKeyLXGPVGBOSKGISM-UHFFFAOYSA-N
XLogP6.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine?
The IUPAC name of 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine (CID 130281607) is 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine.
What is the SMILES notation for 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine?
The canonical SMILES for 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine is CCCc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CO3)cn2)cc1.
What is the InChIKey of 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine?
The InChIKey is LXGPVGBOSKGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO/c1-3-4-18-6-8-19(9-7-18)23-13-10-20(15-29-23)24-14-11-21(16-30-24)22-12-5-17(2)25(27)26(22)28/h5-10,12-13,15,21,24H,3-4,11,14,16H2,1-2H3.
What are the key properties of 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine?
5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine has a molecular weight of 407.50 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-difluoro-4-methylphenyl)oxan-2-yl]-2-(4-propylphenyl)pyridine is sourced from PubChem (CID 130281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).