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

C17H20FNO — CID 19101340

IUPAC2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
SMILESCCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-3-4-5-10-20-14-7-8-15(16(18)11-14)17-9-6-13(2)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyFHLFCYWZZXEPAI-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.77
Rot. Bonds6

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

2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine (PubChem CID 19101340) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
PubChem CID19101340
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
SMILESCCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-3-4-5-10-20-14-7-8-15(16(18)11-14)17-9-6-13(2)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyFHLFCYWZZXEPAI-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
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-octoxyphenyl)-5-methylpyridine
CID 19768408
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
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
3-fluoro-4-(5-heptoxy-2-pyridinyl)phenol
CID 135827543
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine?
The IUPAC name of 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine (CID 19101340) is 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine?
The canonical SMILES for 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine is CCCCCOc1ccc(-c2ccc(C)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine?
The InChIKey is FHLFCYWZZXEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-4-5-10-20-14-7-8-15(16(18)11-14)17-9-6-13(2)12-19-17/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine?
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine has a molecular weight of 273.35 g/mol, XLogP of 4.77, 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-pentoxyphenyl)-5-methylpyridine is sourced from PubChem (CID 19101340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).