2-(4-methoxyphenyl)-5-pentylpyridine

C17H21NO — CID 2058335

IUPAC2-(4-methoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC)cc2)nc1
InChIInChI=1S/C17H21NO/c1-3-4-5-6-14-7-12-17(18-13-14)15-8-10-16(19-2)11-9-15/h7-13H,3-6H2,1-2H3
InChIKeyHVCJMCBYJRJDTM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-pentylpyridine

2-(4-methoxyphenyl)-5-pentylpyridine (PubChem CID 2058335) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-pentylpyridine
PubChem CID2058335
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(4-methoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC)cc2)nc1
InChIInChI=1S/C17H21NO/c1-3-4-5-6-14-7-12-17(18-13-14)15-8-10-16(19-2)11-9-15/h7-13H,3-6H2,1-2H3
InChIKeyHVCJMCBYJRJDTM-UHFFFAOYSA-N
XLogP4.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-pentylpyridine?
The IUPAC name of 2-(4-methoxyphenyl)-5-pentylpyridine (CID 2058335) is 2-(4-methoxyphenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-pentylpyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(OC)cc2)nc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-pentylpyridine?
The InChIKey is HVCJMCBYJRJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-4-5-6-14-7-12-17(18-13-14)15-8-10-16(19-2)11-9-15/h7-13H,3-6H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-pentylpyridine?
2-(4-methoxyphenyl)-5-pentylpyridine has a molecular weight of 255.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-pentylpyridine is sourced from PubChem (CID 2058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).