2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine

C17H21NO2 — CID 126627275

IUPAC2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine
SMILESCCc1ccc(-c2cc(OC)c(CC)c(OC)c2)cn1
InChIInChI=1S/C17H21NO2/c1-5-14-8-7-12(11-18-14)13-9-16(19-3)15(6-2)17(10-13)20-4/h7-11H,5-6H2,1-4H3
InChIKeyFDDPQFKOKFVVPQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds5

About 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine

2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine (PubChem CID 126627275) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine
PubChem CID126627275
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine
SMILESCCc1ccc(-c2cc(OC)c(CC)c(OC)c2)cn1
InChIInChI=1S/C17H21NO2/c1-5-14-8-7-12(11-18-14)13-9-16(19-3)15(6-2)17(10-13)20-4/h7-11H,5-6H2,1-4H3
InChIKeyFDDPQFKOKFVVPQ-UHFFFAOYSA-N
XLogP3.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine?
The IUPAC name of 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine (CID 126627275) is 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine.
What is the SMILES notation for 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine?
The canonical SMILES for 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine is CCc1ccc(-c2cc(OC)c(CC)c(OC)c2)cn1.
What is the InChIKey of 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine?
The InChIKey is FDDPQFKOKFVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-14-8-7-12(11-18-14)13-9-16(19-3)15(6-2)17(10-13)20-4/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine?
2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine has a molecular weight of 271.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethyl-3,5-dimethoxyphenyl)pyridine is sourced from PubChem (CID 126627275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).