2-[3-(3-butylphenyl)phenyl]pyridine

C21H21N — CID 58401104

IUPAC2-[3-(3-butylphenyl)phenyl]pyridine
SMILESCCCCc1cccc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H21N/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21/h4-7,9-16H,2-3,8H2,1H3
InChIKeyMVFBNWWOUYWYPI-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.76
Rot. Bonds5

About 2-[3-(3-butylphenyl)phenyl]pyridine

2-[3-(3-butylphenyl)phenyl]pyridine (PubChem CID 58401104) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[3-(3-butylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-butylphenyl)phenyl]pyridine
PubChem CID58401104
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-[3-(3-butylphenyl)phenyl]pyridine
SMILESCCCCc1cccc(-c2cccc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H21N/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21/h4-7,9-16H,2-3,8H2,1H3
InChIKeyMVFBNWWOUYWYPI-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
tributyl-(3-pyridin-2-ylphenyl)azanium
CID 59782074
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
CID 155602208
4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
CID 155602159
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-butylphenyl)phenyl]pyridine?
The IUPAC name of 2-[3-(3-butylphenyl)phenyl]pyridine (CID 58401104) is 2-[3-(3-butylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(3-butylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[3-(3-butylphenyl)phenyl]pyridine is CCCCc1cccc(-c2cccc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-(3-butylphenyl)phenyl]pyridine?
The InChIKey is MVFBNWWOUYWYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-2-3-8-17-9-6-10-18(15-17)19-11-7-12-20(16-19)21-13-4-5-14-22-21/h4-7,9-16H,2-3,8H2,1H3.
What are the key properties of 2-[3-(3-butylphenyl)phenyl]pyridine?
2-[3-(3-butylphenyl)phenyl]pyridine has a molecular weight of 287.41 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-butylphenyl)phenyl]pyridine is sourced from PubChem (CID 58401104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).