2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine

C20H26FNO — CID 19768408

IUPAC2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1
InChIInChI=1S/C20H26FNO/c1-3-4-5-6-7-8-13-23-17-10-11-18(19(21)14-17)20-12-9-16(2)15-22-20/h9-12,14-15H,3-8,13H2,1-2H3
InChIKeyLGSMLCQOZMJHJX-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.94
Rot. Bonds9

About 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine

2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine (PubChem CID 19768408) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
PubChem CID19768408
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1
InChIInChI=1S/C20H26FNO/c1-3-4-5-6-7-8-13-23-17-10-11-18(19(21)14-17)20-12-9-16(2)15-22-20/h9-12,14-15H,3-8,13H2,1-2H3
InChIKeyLGSMLCQOZMJHJX-UHFFFAOYSA-N
XLogP5.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.94
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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Related Compounds

2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
CID 135827543
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
3-(2-fluoro-4-hexoxyphenyl)-6-methyl-1H-indazole
CID 162015544
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine?
The IUPAC name of 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine (CID 19768408) is 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine?
The canonical SMILES for 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine is CCCCCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine?
The InChIKey is LGSMLCQOZMJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-3-4-5-6-7-8-13-23-17-10-11-18(19(21)14-17)20-12-9-16(2)15-22-20/h9-12,14-15H,3-8,13H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine?
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine has a molecular weight of 315.43 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine is sourced from PubChem (CID 19768408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).