2-[3-(3-butan-2-ylphenyl)phenyl]pyridine

C21H21N — CID 140586014

IUPAC2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
SMILESCCC(C)c1cccc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H21N/c1-3-16(2)17-8-6-9-18(14-17)19-10-7-11-20(15-19)21-12-4-5-13-22-21/h4-16H,3H2,1-2H3
InChIKeyVWZJGLFTXSPVPM-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.93
Rot. Bonds4

About 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine

2-[3-(3-butan-2-ylphenyl)phenyl]pyridine (PubChem CID 140586014) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
PubChem CID140586014
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
SMILESCCC(C)c1cccc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H21N/c1-3-16(2)17-8-6-9-18(14-17)19-10-7-11-20(15-19)21-12-4-5-13-22-21/h4-16H,3H2,1-2H3
InChIKeyVWZJGLFTXSPVPM-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
2-(3-octan-2-ylphenyl)pyridine
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2-[3-(4-ethylphenyl)phenyl]pyridine
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2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(5-butan-2-yl-2-chlorophenyl)pyridine
CID 123184659
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
3-(3-butan-2-ylphenyl)-5-methyl-1H-pyrazole
CID 166536495
5-butan-2-yl-2-(3-phenylphenyl)pyrimidine
CID 140847521
2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine (CID 140586014) is 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine is CCC(C)c1cccc(-c2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine?
The InChIKey is VWZJGLFTXSPVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-3-16(2)17-8-6-9-18(14-17)19-10-7-11-20(15-19)21-12-4-5-13-22-21/h4-16H,3H2,1-2H3.
What are the key properties of 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine?
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine has a molecular weight of 287.41 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-butan-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 140586014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).