2-(4-bromophenyl)-5-butylpyridine

C15H16BrN — CID 3126214

IUPAC2-(4-bromophenyl)-5-butylpyridine
SMILESCCCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C15H16BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h5-11H,2-4H2,1H3
InChIKeyYHEMLKSKGNAPSO-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-bromophenyl)-5-butylpyridine

2-(4-bromophenyl)-5-butylpyridine (PubChem CID 3126214) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-butylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-butylpyridine
PubChem CID3126214
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name2-(4-bromophenyl)-5-butylpyridine
SMILESCCCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C15H16BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h5-11H,2-4H2,1H3
InChIKeyYHEMLKSKGNAPSO-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-butylpyridine?
The IUPAC name of 2-(4-bromophenyl)-5-butylpyridine (CID 3126214) is 2-(4-bromophenyl)-5-butylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-5-butylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-5-butylpyridine is CCCCc1ccc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-butylpyridine?
The InChIKey is YHEMLKSKGNAPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-2-3-4-12-5-10-15(17-11-12)13-6-8-14(16)9-7-13/h5-11H,2-4H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-butylpyridine?
2-(4-bromophenyl)-5-butylpyridine has a molecular weight of 290.20 g/mol, XLogP of 4.85, 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-butylpyridine is sourced from PubChem (CID 3126214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).