5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine

C25H29NO — CID 19859964

IUPAC5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C25H29NO/c1-3-5-6-7-20-8-17-25(26-19-20)23-11-9-21(10-12-23)22-13-15-24(16-14-22)27-18-4-2/h8-17,19H,3-7,18H2,1-2H3
InChIKeyIASKJGZAGCODHQ-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.94
Rot. Bonds9

About 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine

5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine (PubChem CID 19859964) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine.

Molecular Properties

Compound Name5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
PubChem CID19859964
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C25H29NO/c1-3-5-6-7-20-8-17-25(26-19-20)23-11-9-21(10-12-23)22-13-15-24(16-14-22)27-18-4-2/h8-17,19H,3-7,18H2,1-2H3
InChIKeyIASKJGZAGCODHQ-UHFFFAOYSA-N
XLogP6.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.94
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-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine
CID 19807929
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine?
The IUPAC name of 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine (CID 19859964) is 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine.
What is the SMILES notation for 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine?
The canonical SMILES for 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine is CCCCCc1ccc(-c2ccc(-c3ccc(OCCC)cc3)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine?
The InChIKey is IASKJGZAGCODHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-3-5-6-7-20-8-17-25(26-19-20)23-11-9-21(10-12-23)22-13-15-24(16-14-22)27-18-4-2/h8-17,19H,3-7,18H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine?
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine has a molecular weight of 359.51 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine is sourced from PubChem (CID 19859964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).