2-tert-butyl-5-(3-tert-butylphenyl)pyridine

C19H25N — CID 90148532

IUPAC2-tert-butyl-5-(3-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C(C)(C)C)nc2)c1
InChIInChI=1S/C19H25N/c1-18(2,3)16-9-7-8-14(12-16)15-10-11-17(20-13-15)19(4,5)6/h7-13H,1-6H3
InChIKeyUEJGEGRZYTUSDQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.34
Rot. Bonds1

About 2-tert-butyl-5-(3-tert-butylphenyl)pyridine

2-tert-butyl-5-(3-tert-butylphenyl)pyridine (PubChem CID 90148532) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-tert-butylphenyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-tert-butylphenyl)pyridine
PubChem CID90148532
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-tert-butyl-5-(3-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C(C)(C)C)nc2)c1
InChIInChI=1S/C19H25N/c1-18(2,3)16-9-7-8-14(12-16)15-10-11-17(20-13-15)19(4,5)6/h7-13H,1-6H3
InChIKeyUEJGEGRZYTUSDQ-UHFFFAOYSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-tert-butylphenyl)pyridine?
The IUPAC name of 2-tert-butyl-5-(3-tert-butylphenyl)pyridine (CID 90148532) is 2-tert-butyl-5-(3-tert-butylphenyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(3-tert-butylphenyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-(3-tert-butylphenyl)pyridine is CC(C)(C)c1cccc(-c2ccc(C(C)(C)C)nc2)c1.
What is the InChIKey of 2-tert-butyl-5-(3-tert-butylphenyl)pyridine?
The InChIKey is UEJGEGRZYTUSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-18(2,3)16-9-7-8-14(12-16)15-10-11-17(20-13-15)19(4,5)6/h7-13H,1-6H3.
What are the key properties of 2-tert-butyl-5-(3-tert-butylphenyl)pyridine?
2-tert-butyl-5-(3-tert-butylphenyl)pyridine has a molecular weight of 267.42 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-tert-butylphenyl)pyridine is sourced from PubChem (CID 90148532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).