2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine

C17H20FNO — CID 19101339

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C17H20FNO/c1-3-4-5-6-13-7-10-17(19-12-13)15-9-8-14(20-2)11-16(15)18/h7-12H,3-6H2,1-2H3
InChIKeyLYNUSOJSTWDTFX-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.63
Rot. Bonds6

About 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine

2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine (PubChem CID 19101339) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
PubChem CID19101339
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C17H20FNO/c1-3-4-5-6-13-7-10-17(19-12-13)15-9-8-14(20-2)11-16(15)18/h7-12H,3-6H2,1-2H3
InChIKeyLYNUSOJSTWDTFX-UHFFFAOYSA-N
XLogP4.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine 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

2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
5-ethyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 19101283
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine (CID 19101339) is 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(OC)cc2F)nc1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine?
The InChIKey is LYNUSOJSTWDTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-4-5-6-13-7-10-17(19-12-13)15-9-8-14(20-2)11-16(15)18/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine?
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine has a molecular weight of 273.35 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine is sourced from PubChem (CID 19101339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).