4-(3,4-ditert-butylphenyl)-2-methylpyridine

C20H27N — CID 122677038

IUPAC4-(3,4-ditert-butylphenyl)-2-methylpyridine
SMILESCc1cc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)ccn1
InChIInChI=1S/C20H27N/c1-14-12-16(10-11-21-14)15-8-9-17(19(2,3)4)18(13-15)20(5,6)7/h8-13H,1-7H3
InChIKeyBRCZORZATOOFHH-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.65
Rot. Bonds1

About 4-(3,4-ditert-butylphenyl)-2-methylpyridine

4-(3,4-ditert-butylphenyl)-2-methylpyridine (PubChem CID 122677038) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3,4-ditert-butylphenyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(3,4-ditert-butylphenyl)-2-methylpyridine
PubChem CID122677038
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3,4-ditert-butylphenyl)-2-methylpyridine
SMILESCc1cc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)ccn1
InChIInChI=1S/C20H27N/c1-14-12-16(10-11-21-14)15-8-9-17(19(2,3)4)18(13-15)20(5,6)7/h8-13H,1-7H3
InChIKeyBRCZORZATOOFHH-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-ditert-butylphenyl)-2-methylpyridine?
The IUPAC name of 4-(3,4-ditert-butylphenyl)-2-methylpyridine (CID 122677038) is 4-(3,4-ditert-butylphenyl)-2-methylpyridine.
What is the SMILES notation for 4-(3,4-ditert-butylphenyl)-2-methylpyridine?
The canonical SMILES for 4-(3,4-ditert-butylphenyl)-2-methylpyridine is Cc1cc(-c2ccc(C(C)(C)C)c(C(C)(C)C)c2)ccn1.
What is the InChIKey of 4-(3,4-ditert-butylphenyl)-2-methylpyridine?
The InChIKey is BRCZORZATOOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-12-16(10-11-21-14)15-8-9-17(19(2,3)4)18(13-15)20(5,6)7/h8-13H,1-7H3.
What are the key properties of 4-(3,4-ditert-butylphenyl)-2-methylpyridine?
4-(3,4-ditert-butylphenyl)-2-methylpyridine has a molecular weight of 281.44 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-ditert-butylphenyl)-2-methylpyridine is sourced from PubChem (CID 122677038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).