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

C22H23N — CID 140633735

IUPAC2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
SMILESCCCCc1ccccc1-c1cccc(-c2ccc(C)cn2)c1
InChIInChI=1S/C22H23N/c1-3-4-8-18-9-5-6-12-21(18)19-10-7-11-20(15-19)22-14-13-17(2)16-23-22/h5-7,9-16H,3-4,8H2,1-2H3
InChIKeyZSVWNLAUXOOTQZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.07
Rot. Bonds5

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

2-[3-(2-butylphenyl)phenyl]-5-methylpyridine (PubChem CID 140633735) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
PubChem CID140633735
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-[3-(2-butylphenyl)phenyl]-5-methylpyridine
SMILESCCCCc1ccccc1-c1cccc(-c2ccc(C)cn2)c1
InChIInChI=1S/C22H23N/c1-3-4-8-18-9-5-6-12-21(18)19-10-7-11-20(15-19)22-14-13-17(2)16-23-22/h5-7,9-16H,3-4,8H2,1-2H3
InChIKeyZSVWNLAUXOOTQZ-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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Related Compounds

2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
1-methyl-3-(2-pentylphenyl)benzene
CID 54116278
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 166502915
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine?
The IUPAC name of 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine (CID 140633735) is 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine.
What is the SMILES notation for 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine?
The canonical SMILES for 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine is CCCCc1ccccc1-c1cccc(-c2ccc(C)cn2)c1.
What is the InChIKey of 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine?
The InChIKey is ZSVWNLAUXOOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-3-4-8-18-9-5-6-12-21(18)19-10-7-11-20(15-19)22-14-13-17(2)16-23-22/h5-7,9-16H,3-4,8H2,1-2H3.
What are the key properties of 2-[3-(2-butylphenyl)phenyl]-5-methylpyridine?
2-[3-(2-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-(2-butylphenyl)phenyl]-5-methylpyridine is sourced from PubChem (CID 140633735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).