5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine

C110H155N5O5 — CID 157113063

IUPAC5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine
SMILESCCCCCCC(COc1ccccn1)c1ccc(CCCCC)cc1.CCCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCc1ccc(-c2ccc(OCCCC)cn2)cc1.CCCCCc1ccc(C(CCCCC)COc2ccccn2)cc1
InChIInChI=1S/C24H35NO.C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-9-13-23(20-26-24-14-10-11-19-25-24)22-17-15-21(16-18-22)12-8-6-4-2;1-3-5-7-11-20-14-16-21(17-15-20)22(12-8-6-4-2)19-25-23-13-9-10-18-24-23;1-3-5-7-9-17-24-21-15-16-22(23-18-21)20-13-11-19(12-14-20)10-8-6-4-2;1-3-5-7-9-18-10-12-19(13-11-18)21-15-14-20(17-22-21)23-16-8-6-4-2;1-3-5-7-8-17-9-11-18(12-10-17)20-14-13-19(16-21-20)22-15-6-4-2/h10-11,14-19,23H,3-9,12-13,20H2,1-2H3;9-10,13-18,22H,3-8,11-12,19H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;10-15,17H,3-9,16H2,1-2H3;9-14,16H,3-8,15H2,1-2H3
InChIKeyAHBNXRNWFLTVLK-UHFFFAOYSA-N
MW1627.48 g/mol
LogP31.66
Rot. Bonds55

About 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine

5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine (PubChem CID 157113063) has the molecular formula C110H155N5O5 and a molecular weight of 1627.48 g/mol. Its IUPAC name is 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine.

Molecular Properties

Compound Name5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine
PubChem CID157113063
Molecular FormulaC110H155N5O5
Molecular Weight1627.48 g/mol
Exact Mass1626.20
IUPAC Name5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine
SMILESCCCCCCC(COc1ccccn1)c1ccc(CCCCC)cc1.CCCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCc1ccc(-c2ccc(OCCCC)cn2)cc1.CCCCCc1ccc(C(CCCCC)COc2ccccn2)cc1
InChIInChI=1S/C24H35NO.C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-9-13-23(20-26-24-14-10-11-19-25-24)22-17-15-21(16-18-22)12-8-6-4-2;1-3-5-7-11-20-14-16-21(17-15-20)22(12-8-6-4-2)19-25-23-13-9-10-18-24-23;1-3-5-7-9-17-24-21-15-16-22(23-18-21)20-13-11-19(12-14-20)10-8-6-4-2;1-3-5-7-9-18-10-12-19(13-11-18)21-15-14-20(17-22-21)23-16-8-6-4-2;1-3-5-7-8-17-9-11-18(12-10-17)20-14-13-19(16-21-20)22-15-6-4-2/h10-11,14-19,23H,3-9,12-13,20H2,1-2H3;9-10,13-18,22H,3-8,11-12,19H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;10-15,17H,3-9,16H2,1-2H3;9-14,16H,3-8,15H2,1-2H3
InChIKeyAHBNXRNWFLTVLK-UHFFFAOYSA-N
XLogP31.66
TPSA110.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds55
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001627.48
LogP ≤ 531.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine?
The IUPAC name of 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine (CID 157113063) is 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine.
What is the SMILES notation for 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine?
The canonical SMILES for 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine is CCCCCCC(COc1ccccn1)c1ccc(CCCCC)cc1.CCCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)nc1.CCCCCc1ccc(-c2ccc(OCCCC)cn2)cc1.CCCCCc1ccc(C(CCCCC)COc2ccccn2)cc1.
What is the InChIKey of 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine?
The InChIKey is AHBNXRNWFLTVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO.C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-9-13-23(20-26-24-14-10-11-19-25-24)22-17-15-21(16-18-22)12-8-6-4-2;1-3-5-7-11-20-14-16-21(17-15-20)22(12-8-6-4-2)19-25-23-13-9-10-18-24-23;1-3-5-7-9-17-24-21-15-16-22(23-18-21)20-13-11-19(12-14-20)10-8-6-4-2;1-3-5-7-9-18-10-12-19(13-11-18)21-15-14-20(17-22-21)23-16-8-6-4-2;1-3-5-7-8-17-9-11-18(12-10-17)20-14-13-19(16-21-20)22-15-6-4-2/h10-11,14-19,23H,3-9,12-13,20H2,1-2H3;9-10,13-18,22H,3-8,11-12,19H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;10-15,17H,3-9,16H2,1-2H3;9-14,16H,3-8,15H2,1-2H3.
What are the key properties of 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine?
5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine has a molecular weight of 1627.48 g/mol, XLogP of 31.66, 55 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-(4-pentylphenyl)pyridine;5-hexoxy-2-(4-pentylphenyl)pyridine;5-pentoxy-2-(4-pentylphenyl)pyridine;2-[2-(4-pentylphenyl)heptoxy]pyridine;2-[2-(4-pentylphenyl)octoxy]pyridine is sourced from PubChem (CID 157113063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).