2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine

C23H32FNO — CID 19101204

IUPAC2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCCCC)cn2)c(F)c1
InChIInChI=1S/C23H32FNO/c1-3-5-7-9-11-19-12-15-23(25-18-19)21-14-13-20(17-22(21)24)26-16-10-8-6-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyRKUVMDTZHIWQTF-UHFFFAOYSA-N
MW357.51 g/mol
LogP6.97
Rot. Bonds12

About 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine

2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine (PubChem CID 19101204) has the molecular formula C23H32FNO and a molecular weight of 357.51 g/mol. Its IUPAC name is 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
PubChem CID19101204
Molecular FormulaC23H32FNO
Molecular Weight357.51 g/mol
Exact Mass357.25
IUPAC Name2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCCCCC)cn2)c(F)c1
InChIInChI=1S/C23H32FNO/c1-3-5-7-9-11-19-12-15-23(25-18-19)21-14-13-20(17-22(21)24)26-16-10-8-6-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyRKUVMDTZHIWQTF-UHFFFAOYSA-N
XLogP6.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.51
LogP ≤ 56.97
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-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine?
The IUPAC name of 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine (CID 19101204) is 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine?
The canonical SMILES for 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine is CCCCCCOc1ccc(-c2ccc(CCCCCC)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine?
The InChIKey is RKUVMDTZHIWQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO/c1-3-5-7-9-11-19-12-15-23(25-18-19)21-14-13-20(17-22(21)24)26-16-10-8-6-4-2/h12-15,17-18H,3-11,16H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine?
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine has a molecular weight of 357.51 g/mol, XLogP of 6.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine is sourced from PubChem (CID 19101204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).