2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine

C26H35NO2 — CID 70264274

IUPAC2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)nc2)cc1
InChIInChI=1S/C26H35NO2/c1-4-6-10-20-28-22(3)11-8-7-9-12-25-16-13-24(21-27-25)23-14-17-26(18-15-23)29-19-5-2/h5,9,12-18,21-22H,2,4,6-8,10-11,19-20H2,1,3H3
InChIKeyNJRNWSOIYWXVND-UHFFFAOYSA-N
MW393.57 g/mol
LogP7.09
Rot. Bonds14

About 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine

2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine (PubChem CID 70264274) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine
PubChem CID70264274
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)nc2)cc1
InChIInChI=1S/C26H35NO2/c1-4-6-10-20-28-22(3)11-8-7-9-12-25-16-13-24(21-27-25)23-14-17-26(18-15-23)29-19-5-2/h5,9,12-18,21-22H,2,4,6-8,10-11,19-20H2,1,3H3
InChIKeyNJRNWSOIYWXVND-UHFFFAOYSA-N
XLogP7.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-6-pentoxyhept-1-enyl]-5-(4-prop-2-enoxyphenyl)pyrimidine
CID 70263167
1-(6-pentoxyhept-1-enyl)-4-[4-(4-prop-2-enoxyphenyl)phenyl]benzene
CID 70263182
4-[4-[6-(6-pentoxyhept-1-enyl)-3-pyridinyl]phenyl]phenol
CID 70265196
3-[4-(6-pentoxyhept-1-enyl)phenyl]-6-(4-prop-2-enoxyphenyl)pyridazine
CID 70260677
5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(5-prop-2-enoxy-2-pyridinyl)pyrimidine
CID 70263998
5-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70265189
2-fluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-1-(4-prop-2-enoxyphenyl)benzene
CID 70260699
2-[(E)-6-pentoxyhept-1-enyl]-6-prop-2-enoxyquinazoline
CID 70261078
2-[(E)-6-pentoxyhept-1-enyl]-5-[4-(4-prop-2-enylphenyl)phenyl]pyrimidine
CID 70264469
5-(3-fluoro-4-prop-2-enoxyphenyl)-2-[(E)-6-pentoxyhept-1-enyl]pyrimidine
CID 70263523
5-(3-fluoro-4-prop-2-enoxyphenyl)-2-(6-pentoxyhept-1-enyl)pyrimidine
CID 70263525
5-[4-[3-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]phenyl]-2-prop-2-enoxypyridine
CID 70260675

Frequently Asked Questions

What is the IUPAC name of 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine?
The IUPAC name of 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine (CID 70264274) is 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine.
What is the SMILES notation for 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine?
The canonical SMILES for 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine is C=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)nc2)cc1.
What is the InChIKey of 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine?
The InChIKey is NJRNWSOIYWXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-4-6-10-20-28-22(3)11-8-7-9-12-25-16-13-24(21-27-25)23-14-17-26(18-15-23)29-19-5-2/h5,9,12-18,21-22H,2,4,6-8,10-11,19-20H2,1,3H3.
What are the key properties of 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine?
2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine has a molecular weight of 393.57 g/mol, XLogP of 7.09, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pentoxyhept-1-enyl)-5-(4-prop-2-enoxyphenyl)pyridine is sourced from PubChem (CID 70264274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).