2-(4-bromophenyl)-5-but-3-enylpyridine

C15H14BrN — CID 5145224

IUPAC2-(4-bromophenyl)-5-but-3-enylpyridine
SMILESC=CCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C15H14BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,5-11H,1,3-4H2
InChIKeyXJAIMWMLPGBMBK-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-bromophenyl)-5-but-3-enylpyridine

2-(4-bromophenyl)-5-but-3-enylpyridine (PubChem CID 5145224) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-but-3-enylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-but-3-enylpyridine
PubChem CID5145224
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name2-(4-bromophenyl)-5-but-3-enylpyridine
SMILESC=CCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C15H14BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,5-11H,1,3-4H2
InChIKeyXJAIMWMLPGBMBK-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-bromophenyl)-3-pyridinyl]methanol
CID 24729901
3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
CID 19867343
4,5-dibromo-2-phenylpyridine;5-hex-5-enyl-2-phenylpyridine;2-phenyl-4,5-bis[6-(6-phenyl-3-pyridinyl)hexyl]pyridine
CID 158830906
5-but-3-enyl-2-[4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]pyridine
CID 58383679
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
3-[6-(4-nonylphenyl)-3-pyridinyl]propanal
CID 19821388
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
[6-(4-prop-2-enylphenyl)-3-pyridinyl]boronic acid
CID 67672609
5-but-3-enyl-2-(3,4-difluorophenyl)pyrimidine
CID 19380417
5-but-3-enyl-2-(4-fluorophenyl)pyrimidine
CID 19899870
5-but-3-enyl-2-(4-chlorophenyl)pyrimidine
CID 19380445

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-but-3-enylpyridine?
The IUPAC name of 2-(4-bromophenyl)-5-but-3-enylpyridine (CID 5145224) is 2-(4-bromophenyl)-5-but-3-enylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-5-but-3-enylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-5-but-3-enylpyridine is C=CCCc1ccc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-but-3-enylpyridine?
The InChIKey is XJAIMWMLPGBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h2,5-11H,1,3-4H2.
What are the key properties of 2-(4-bromophenyl)-5-but-3-enylpyridine?
2-(4-bromophenyl)-5-but-3-enylpyridine has a molecular weight of 288.19 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-but-3-enylpyridine is sourced from PubChem (CID 5145224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).