3-bromo-5-(4-phenylbutyl)pyridine

C15H16BrN — CID 165047418

IUPAC3-bromo-5-(4-phenylbutyl)pyridine
SMILESBrc1cncc(CCCCc2ccccc2)c1
InChIInChI=1S/C15H16BrN/c16-15-10-14(11-17-12-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyPCYXYERACRWJPO-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.41
Rot. Bonds5

About 3-bromo-5-(4-phenylbutyl)pyridine

3-bromo-5-(4-phenylbutyl)pyridine (PubChem CID 165047418) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-bromo-5-(4-phenylbutyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(4-phenylbutyl)pyridine
PubChem CID165047418
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name3-bromo-5-(4-phenylbutyl)pyridine
SMILESBrc1cncc(CCCCc2ccccc2)c1
InChIInChI=1S/C15H16BrN/c16-15-10-14(11-17-12-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2
InChIKeyPCYXYERACRWJPO-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
4-phenylbutylbenzene
CID 141301927
4-(5-bromo-3-pyridinyl)-2-phenylbutan-1-amine
CID 113456145
N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104811260
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-phenylbutyl)pyridine?
The IUPAC name of 3-bromo-5-(4-phenylbutyl)pyridine (CID 165047418) is 3-bromo-5-(4-phenylbutyl)pyridine.
What is the SMILES notation for 3-bromo-5-(4-phenylbutyl)pyridine?
The canonical SMILES for 3-bromo-5-(4-phenylbutyl)pyridine is Brc1cncc(CCCCc2ccccc2)c1.
What is the InChIKey of 3-bromo-5-(4-phenylbutyl)pyridine?
The InChIKey is PCYXYERACRWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c16-15-10-14(11-17-12-15)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2.
What are the key properties of 3-bromo-5-(4-phenylbutyl)pyridine?
3-bromo-5-(4-phenylbutyl)pyridine has a molecular weight of 290.20 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-phenylbutyl)pyridine is sourced from PubChem (CID 165047418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).