2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine

C17H21N — CID 71277362

IUPAC2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
SMILESCCc1cccc(-c2cccc(CC(C)C)c2)n1
InChIInChI=1S/C17H21N/c1-4-16-9-6-10-17(18-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyNJQWOGGTQWFIMS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.51
Rot. Bonds4

About 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine

2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine (PubChem CID 71277362) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine.

Molecular Properties

Compound Name2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
PubChem CID71277362
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine
SMILESCCc1cccc(-c2cccc(CC(C)C)c2)n1
InChIInChI=1S/C17H21N/c1-4-16-9-6-10-17(18-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeyNJQWOGGTQWFIMS-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine?
The IUPAC name of 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine (CID 71277362) is 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine.
What is the SMILES notation for 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine?
The canonical SMILES for 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine is CCc1cccc(-c2cccc(CC(C)C)c2)n1.
What is the InChIKey of 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine?
The InChIKey is NJQWOGGTQWFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-16-9-6-10-17(18-16)15-8-5-7-14(12-15)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine?
2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine has a molecular weight of 239.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-(2-methylpropyl)phenyl]pyridine is sourced from PubChem (CID 71277362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).