2-[3-(4-butylphenyl)phenyl]-5-methylpyridine

C22H23N — CID 140633723

IUPAC2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
SMILESCCCCc1ccc(-c2cccc(-c3ccc(C)cn3)c2)cc1
InChIInChI=1S/C22H23N/c1-3-4-6-18-10-12-19(13-11-18)20-7-5-8-21(15-20)22-14-9-17(2)16-23-22/h5,7-16H,3-4,6H2,1-2H3
InChIKeyVCENNKSBFBXACM-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.07
Rot. Bonds5

About 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine

2-[3-(4-butylphenyl)phenyl]-5-methylpyridine (PubChem CID 140633723) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
PubChem CID140633723
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
SMILESCCCCc1ccc(-c2cccc(-c3ccc(C)cn3)c2)cc1
InChIInChI=1S/C22H23N/c1-3-4-6-18-10-12-19(13-11-18)20-7-5-8-21(15-20)22-14-9-17(2)16-23-22/h5,7-16H,3-4,6H2,1-2H3
InChIKeyVCENNKSBFBXACM-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine?
The IUPAC name of 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine (CID 140633723) is 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine.
What is the SMILES notation for 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine?
The canonical SMILES for 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine is CCCCc1ccc(-c2cccc(-c3ccc(C)cn3)c2)cc1.
What is the InChIKey of 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine?
The InChIKey is VCENNKSBFBXACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-3-4-6-18-10-12-19(13-11-18)20-7-5-8-21(15-20)22-14-9-17(2)16-23-22/h5,7-16H,3-4,6H2,1-2H3.
What are the key properties of 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine?
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine has a molecular weight of 301.43 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-butylphenyl)phenyl]-5-methylpyridine is sourced from PubChem (CID 140633723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).