2-(4-tert-butylnaphthalen-1-yl)pyridine

C19H19N — CID 171748905

IUPAC2-(4-tert-butylnaphthalen-1-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H19N/c1-19(2,3)17-12-11-16(18-10-6-7-13-20-18)14-8-4-5-9-15(14)17/h4-13H,1-3H3
InChIKeyHBKPDZQNCYEQSY-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.20
Rot. Bonds1

About 2-(4-tert-butylnaphthalen-1-yl)pyridine

2-(4-tert-butylnaphthalen-1-yl)pyridine (PubChem CID 171748905) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylnaphthalen-1-yl)pyridine
PubChem CID171748905
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-(4-tert-butylnaphthalen-1-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H19N/c1-19(2,3)17-12-11-16(18-10-6-7-13-20-18)14-8-4-5-9-15(14)17/h4-13H,1-3H3
InChIKeyHBKPDZQNCYEQSY-UHFFFAOYSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-1-yl)pyridine?
The IUPAC name of 2-(4-tert-butylnaphthalen-1-yl)pyridine (CID 171748905) is 2-(4-tert-butylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-(4-tert-butylnaphthalen-1-yl)pyridine?
The canonical SMILES for 2-(4-tert-butylnaphthalen-1-yl)pyridine is CC(C)(C)c1ccc(-c2ccccn2)c2ccccc12.
What is the InChIKey of 2-(4-tert-butylnaphthalen-1-yl)pyridine?
The InChIKey is HBKPDZQNCYEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-19(2,3)17-12-11-16(18-10-6-7-13-20-18)14-8-4-5-9-15(14)17/h4-13H,1-3H3.
What are the key properties of 2-(4-tert-butylnaphthalen-1-yl)pyridine?
2-(4-tert-butylnaphthalen-1-yl)pyridine has a molecular weight of 261.37 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 171748905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).