5-(chloromethyl)-2-ethenylpyridine

C8H8ClN — CID 74890335

IUPAC5-(chloromethyl)-2-ethenylpyridine
SMILESC=Cc1ccc(CCl)cn1
InChIInChI=1S/C8H8ClN/c1-2-8-4-3-7(5-9)6-10-8/h2-4,6H,1,5H2
InChIKeyCUQIOZZVFMNHNM-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.46
Rot. Bonds2

About 5-(chloromethyl)-2-ethenylpyridine

5-(chloromethyl)-2-ethenylpyridine (PubChem CID 74890335) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethenylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethenylpyridine
PubChem CID74890335
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name5-(chloromethyl)-2-ethenylpyridine
SMILESC=Cc1ccc(CCl)cn1
InChIInChI=1S/C8H8ClN/c1-2-8-4-3-7(5-9)6-10-8/h2-4,6H,1,5H2
InChIKeyCUQIOZZVFMNHNM-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethenylpyridine?
The IUPAC name of 5-(chloromethyl)-2-ethenylpyridine (CID 74890335) is 5-(chloromethyl)-2-ethenylpyridine.
What is the SMILES notation for 5-(chloromethyl)-2-ethenylpyridine?
The canonical SMILES for 5-(chloromethyl)-2-ethenylpyridine is C=Cc1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-ethenylpyridine?
The InChIKey is CUQIOZZVFMNHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-2-8-4-3-7(5-9)6-10-8/h2-4,6H,1,5H2.
What are the key properties of 5-(chloromethyl)-2-ethenylpyridine?
5-(chloromethyl)-2-ethenylpyridine has a molecular weight of 153.61 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethenylpyridine is sourced from PubChem (CID 74890335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).