2-(4-butoxy-2-fluorophenyl)-5-butylpyridine

C19H24FNO — CID 19101153

IUPAC2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
SMILESCCCCOc1ccc(-c2ccc(CCCC)cn2)c(F)c1
InChIInChI=1S/C19H24FNO/c1-3-5-7-15-8-11-19(21-14-15)17-10-9-16(13-18(17)20)22-12-6-4-2/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyBJRIEJQOTLKCKM-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.41
Rot. Bonds8

About 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine

2-(4-butoxy-2-fluorophenyl)-5-butylpyridine (PubChem CID 19101153) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine.

Molecular Properties

Compound Name2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
PubChem CID19101153
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
SMILESCCCCOc1ccc(-c2ccc(CCCC)cn2)c(F)c1
InChIInChI=1S/C19H24FNO/c1-3-5-7-15-8-11-19(21-14-15)17-10-9-16(13-18(17)20)22-12-6-4-2/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyBJRIEJQOTLKCKM-UHFFFAOYSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.41
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

5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
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-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
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-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine?
The IUPAC name of 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine (CID 19101153) is 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine.
What is the SMILES notation for 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine?
The canonical SMILES for 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine is CCCCOc1ccc(-c2ccc(CCCC)cn2)c(F)c1.
What is the InChIKey of 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine?
The InChIKey is BJRIEJQOTLKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-3-5-7-15-8-11-19(21-14-15)17-10-9-16(13-18(17)20)22-12-6-4-2/h8-11,13-14H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine?
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine has a molecular weight of 301.41 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxy-2-fluorophenyl)-5-butylpyridine is sourced from PubChem (CID 19101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).