2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine

C20H26FNO — CID 19850593

IUPAC2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OC)c(F)c2)nc1
InChIInChI=1S/C20H26FNO/c1-3-4-5-6-7-8-9-16-10-12-19(22-15-16)17-11-13-20(23-2)18(21)14-17/h10-15H,3-9H2,1-2H3
InChIKeyAHMCNLPXZZPAPS-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.80
Rot. Bonds9

About 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine

2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine (PubChem CID 19850593) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
PubChem CID19850593
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OC)c(F)c2)nc1
InChIInChI=1S/C20H26FNO/c1-3-4-5-6-7-8-9-16-10-12-19(22-15-16)17-11-13-20(23-2)18(21)14-17/h10-15H,3-9H2,1-2H3
InChIKeyAHMCNLPXZZPAPS-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
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-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166
5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
CID 21286193
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
CID 19859304
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
CID 58383763

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine (CID 19850593) is 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine is CCCCCCCCc1ccc(-c2ccc(OC)c(F)c2)nc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine?
The InChIKey is AHMCNLPXZZPAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-3-4-5-6-7-8-9-16-10-12-19(22-15-16)17-11-13-20(23-2)18(21)14-17/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine?
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine has a molecular weight of 315.43 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine is sourced from PubChem (CID 19850593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).