5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine

C23H33NO — CID 67813109

IUPAC5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)nc1
InChIInChI=1S/C23H33NO/c1-4-6-7-8-9-10-20-11-16-23(24-17-20)21-12-14-22(15-13-21)25-18-19(3)5-2/h11-17,19H,4-10,18H2,1-3H3
InChIKeyHQEXXSLPDNRGTM-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.69
Rot. Bonds11

About 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine

5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine (PubChem CID 67813109) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
PubChem CID67813109
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)nc1
InChIInChI=1S/C23H33NO/c1-4-6-7-8-9-10-20-11-16-23(24-17-20)21-12-14-22(15-13-21)25-18-19(3)5-2/h11-17,19H,4-10,18H2,1-3H3
InChIKeyHQEXXSLPDNRGTM-UHFFFAOYSA-N
XLogP6.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.69
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-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine (CID 67813109) is 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(OCC(C)CC)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine?
The InChIKey is HQEXXSLPDNRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-4-6-7-8-9-10-20-11-16-23(24-17-20)21-12-14-22(15-13-21)25-18-19(3)5-2/h11-17,19H,4-10,18H2,1-3H3.
What are the key properties of 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine?
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine has a molecular weight of 339.52 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine is sourced from PubChem (CID 67813109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).