2-butan-2-yl-3-(4-methylphenyl)pyridine

C16H19N — CID 144506190

IUPAC2-butan-2-yl-3-(4-methylphenyl)pyridine
SMILESCCC(C)c1ncccc1-c1ccc(C)cc1
InChIInChI=1S/C16H19N/c1-4-13(3)16-15(6-5-11-17-16)14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3
InChIKeyGICVYDJFQJDIRA-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.57
Rot. Bonds3

About 2-butan-2-yl-3-(4-methylphenyl)pyridine

2-butan-2-yl-3-(4-methylphenyl)pyridine (PubChem CID 144506190) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-butan-2-yl-3-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-3-(4-methylphenyl)pyridine
PubChem CID144506190
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-butan-2-yl-3-(4-methylphenyl)pyridine
SMILESCCC(C)c1ncccc1-c1ccc(C)cc1
InChIInChI=1S/C16H19N/c1-4-13(3)16-15(6-5-11-17-16)14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3
InChIKeyGICVYDJFQJDIRA-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-(4-methylphenyl)pyridine?
The IUPAC name of 2-butan-2-yl-3-(4-methylphenyl)pyridine (CID 144506190) is 2-butan-2-yl-3-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-butan-2-yl-3-(4-methylphenyl)pyridine?
The canonical SMILES for 2-butan-2-yl-3-(4-methylphenyl)pyridine is CCC(C)c1ncccc1-c1ccc(C)cc1.
What is the InChIKey of 2-butan-2-yl-3-(4-methylphenyl)pyridine?
The InChIKey is GICVYDJFQJDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-4-13(3)16-15(6-5-11-17-16)14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-3-(4-methylphenyl)pyridine?
2-butan-2-yl-3-(4-methylphenyl)pyridine has a molecular weight of 225.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-(4-methylphenyl)pyridine is sourced from PubChem (CID 144506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).