2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine

C27H40FNO2 — CID 19046959

IUPAC2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)c(F)n2)cc1
InChIInChI=1S/C27H40FNO2/c1-3-5-7-9-11-13-21-30-24-17-15-23(16-18-24)25-19-20-26(27(28)29-25)31-22-14-12-10-8-6-4-2/h15-20H,3-14,21-22H2,1-2H3
InChIKeySUMNAEOMSSALMH-UHFFFAOYSA-N
MW429.62 g/mol
LogP8.37
Rot. Bonds17

About 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine

2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine (PubChem CID 19046959) has the molecular formula C27H40FNO2 and a molecular weight of 429.62 g/mol. Its IUPAC name is 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine
PubChem CID19046959
Molecular FormulaC27H40FNO2
Molecular Weight429.62 g/mol
Exact Mass429.30
IUPAC Name2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)c(F)n2)cc1
InChIInChI=1S/C27H40FNO2/c1-3-5-7-9-11-13-21-30-24-17-15-23(16-18-24)25-19-20-26(27(28)29-25)31-22-14-12-10-8-6-4-2/h15-20H,3-14,21-22H2,1-2H3
InChIKeySUMNAEOMSSALMH-UHFFFAOYSA-N
XLogP8.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.62
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-5-(4-octoxyphenyl)pyrazine
CID 139612881
3-(1,1-difluorohexyl)-2-fluoro-6-[4-(4-octoxyphenyl)phenyl]pyridine
CID 54306527
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-fluoro-1-[2-fluoro-4-(4-octoxyphenyl)phenoxy]-4-(4-octoxyphenyl)benzene
CID 56630470
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine?
The IUPAC name of 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine (CID 19046959) is 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine.
What is the SMILES notation for 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine?
The canonical SMILES for 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine is CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)c(F)n2)cc1.
What is the InChIKey of 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine?
The InChIKey is SUMNAEOMSSALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FNO2/c1-3-5-7-9-11-13-21-30-24-17-15-23(16-18-24)25-19-20-26(27(28)29-25)31-22-14-12-10-8-6-4-2/h15-20H,3-14,21-22H2,1-2H3.
What are the key properties of 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine?
2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine has a molecular weight of 429.62 g/mol, XLogP of 8.37, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-octoxy-6-(4-octoxyphenyl)pyridine is sourced from PubChem (CID 19046959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).