3-bromo-4-[(E)-hex-1-enyl]pyridine

C11H14BrN — CID 58522024

IUPAC3-bromo-4-[(E)-hex-1-enyl]pyridine
SMILESCCCC/C=C/c1ccncc1Br
InChIInChI=1S/C11H14BrN/c1-2-3-4-5-6-10-7-8-13-9-11(10)12/h5-9H,2-4H2,1H3/b6-5+
InChIKeyZACJNPJOEUYPNN-AATRIKPKSA-N
MW240.14 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-4-[(E)-hex-1-enyl]pyridine

3-bromo-4-[(E)-hex-1-enyl]pyridine (PubChem CID 58522024) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-bromo-4-[(E)-hex-1-enyl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[(E)-hex-1-enyl]pyridine
PubChem CID58522024
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-bromo-4-[(E)-hex-1-enyl]pyridine
SMILESCCCC/C=C/c1ccncc1Br
InChIInChI=1S/C11H14BrN/c1-2-3-4-5-6-10-7-8-13-9-11(10)12/h5-9H,2-4H2,1H3/b6-5+
InChIKeyZACJNPJOEUYPNN-AATRIKPKSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(E)-hex-1-enyl]pyridine?
The IUPAC name of 3-bromo-4-[(E)-hex-1-enyl]pyridine (CID 58522024) is 3-bromo-4-[(E)-hex-1-enyl]pyridine.
What is the SMILES notation for 3-bromo-4-[(E)-hex-1-enyl]pyridine?
The canonical SMILES for 3-bromo-4-[(E)-hex-1-enyl]pyridine is CCCC/C=C/c1ccncc1Br.
What is the InChIKey of 3-bromo-4-[(E)-hex-1-enyl]pyridine?
The InChIKey is ZACJNPJOEUYPNN-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-3-4-5-6-10-7-8-13-9-11(10)12/h5-9H,2-4H2,1H3/b6-5+.
What are the key properties of 3-bromo-4-[(E)-hex-1-enyl]pyridine?
3-bromo-4-[(E)-hex-1-enyl]pyridine has a molecular weight of 240.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(E)-hex-1-enyl]pyridine is sourced from PubChem (CID 58522024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).