5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine

C20H25F2NO — CID 71211319

IUPAC5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine
SMILESCCCCC[C@@H](F)[C@H](F)COc1ccc(-c2ccc(C)cc2)nc1
InChIInChI=1S/C20H25F2NO/c1-3-4-5-6-18(21)19(22)14-24-17-11-12-20(23-13-17)16-9-7-15(2)8-10-16/h7-13,18-19H,3-6,14H2,1-2H3/t18-,19-/m1/s1
InChIKeyJDJDXKVGVGSOOT-RTBURBONSA-N
MW333.42 g/mol
LogP5.69
Rot. Bonds9

About 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine

5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine (PubChem CID 71211319) has the molecular formula C20H25F2NO and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine
PubChem CID71211319
Molecular FormulaC20H25F2NO
Molecular Weight333.42 g/mol
Exact Mass333.19
IUPAC Name5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine
SMILESCCCCC[C@@H](F)[C@H](F)COc1ccc(-c2ccc(C)cc2)nc1
InChIInChI=1S/C20H25F2NO/c1-3-4-5-6-18(21)19(22)14-24-17-11-12-20(23-13-17)16-9-7-15(2)8-10-16/h7-13,18-19H,3-6,14H2,1-2H3/t18-,19-/m1/s1
InChIKeyJDJDXKVGVGSOOT-RTBURBONSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
1-[(2S,3S)-2,3-difluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 58823313
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
2-(4-decylphenyl)-5-(2,3-difluorooctoxy)pyrimidine
CID 18697117
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine?
The IUPAC name of 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine (CID 71211319) is 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine.
What is the SMILES notation for 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine?
The canonical SMILES for 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine is CCCCC[C@@H](F)[C@H](F)COc1ccc(-c2ccc(C)cc2)nc1.
What is the InChIKey of 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine?
The InChIKey is JDJDXKVGVGSOOT-RTBURBONSA-N. The full InChI is InChI=1S/C20H25F2NO/c1-3-4-5-6-18(21)19(22)14-24-17-11-12-20(23-13-17)16-9-7-15(2)8-10-16/h7-13,18-19H,3-6,14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine?
5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine has a molecular weight of 333.42 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2,3-difluorooctoxy]-2-(4-methylphenyl)pyridine is sourced from PubChem (CID 71211319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).