3-(4-octoxyphenyl)pyridine

C19H25NO — CID 90176946

IUPAC3-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-15-21-19-12-10-17(11-13-19)18-9-8-14-20-16-18/h8-14,16H,2-7,15H2,1H3
InChIKeyMGMAJGBZMKKYPD-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.49
Rot. Bonds9

About 3-(4-octoxyphenyl)pyridine

3-(4-octoxyphenyl)pyridine (PubChem CID 90176946) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(4-octoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(4-octoxyphenyl)pyridine
PubChem CID90176946
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-15-21-19-12-10-17(11-13-19)18-9-8-14-20-16-18/h8-14,16H,2-7,15H2,1H3
InChIKeyMGMAJGBZMKKYPD-UHFFFAOYSA-N
XLogP5.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.49
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

N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
3-octadecoxypyridine
CID 175800212
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-pentoxy-4-phenylbenzene
CID 7021155
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 3-(4-octoxyphenyl)pyridine?
The IUPAC name of 3-(4-octoxyphenyl)pyridine (CID 90176946) is 3-(4-octoxyphenyl)pyridine.
What is the SMILES notation for 3-(4-octoxyphenyl)pyridine?
The canonical SMILES for 3-(4-octoxyphenyl)pyridine is CCCCCCCCOc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-(4-octoxyphenyl)pyridine?
The InChIKey is MGMAJGBZMKKYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-4-5-6-7-15-21-19-12-10-17(11-13-19)18-9-8-14-20-16-18/h8-14,16H,2-7,15H2,1H3.
What are the key properties of 3-(4-octoxyphenyl)pyridine?
3-(4-octoxyphenyl)pyridine has a molecular weight of 283.42 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-octoxyphenyl)pyridine is sourced from PubChem (CID 90176946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).