2-(4-dodecylphenyl)-5-ethylpyridine

C25H37N — CID 3092180

IUPAC2-(4-dodecylphenyl)-5-ethylpyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(CC)cn2)cc1
InChIInChI=1S/C25H37N/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-18-24(19-16-23)25-20-17-22(4-2)21-26-25/h15-21H,3-14H2,1-2H3
InChIKeyGMQOMEFVZJBXRZ-UHFFFAOYSA-N
MW351.58 g/mol
LogP7.77
Rot. Bonds13

About 2-(4-dodecylphenyl)-5-ethylpyridine

2-(4-dodecylphenyl)-5-ethylpyridine (PubChem CID 3092180) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-(4-dodecylphenyl)-5-ethylpyridine.

Molecular Properties

Compound Name2-(4-dodecylphenyl)-5-ethylpyridine
PubChem CID3092180
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name2-(4-dodecylphenyl)-5-ethylpyridine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(CC)cn2)cc1
InChIInChI=1S/C25H37N/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-18-24(19-16-23)25-20-17-22(4-2)21-26-25/h15-21H,3-14H2,1-2H3
InChIKeyGMQOMEFVZJBXRZ-UHFFFAOYSA-N
XLogP7.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-decyl-2-[6-(4-pentylphenyl)-3-pyridinyl]pyrimidine
CID 139626602
2-[6-(4-heptylphenyl)-3-pyridinyl]-5-nonylpyrimidine
CID 86172683
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597

Frequently Asked Questions

What is the IUPAC name of 2-(4-dodecylphenyl)-5-ethylpyridine?
The IUPAC name of 2-(4-dodecylphenyl)-5-ethylpyridine (CID 3092180) is 2-(4-dodecylphenyl)-5-ethylpyridine.
What is the SMILES notation for 2-(4-dodecylphenyl)-5-ethylpyridine?
The canonical SMILES for 2-(4-dodecylphenyl)-5-ethylpyridine is CCCCCCCCCCCCc1ccc(-c2ccc(CC)cn2)cc1.
What is the InChIKey of 2-(4-dodecylphenyl)-5-ethylpyridine?
The InChIKey is GMQOMEFVZJBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-3-5-6-7-8-9-10-11-12-13-14-23-15-18-24(19-16-23)25-20-17-22(4-2)21-26-25/h15-21H,3-14H2,1-2H3.
What are the key properties of 2-(4-dodecylphenyl)-5-ethylpyridine?
2-(4-dodecylphenyl)-5-ethylpyridine has a molecular weight of 351.58 g/mol, XLogP of 7.77, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dodecylphenyl)-5-ethylpyridine is sourced from PubChem (CID 3092180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).