2-chloro-5-ethenylpyridine

C7H6ClN — CID 11815443

IUPAC2-chloro-5-ethenylpyridine
SMILESC=Cc1ccc(Cl)nc1
InChIInChI=1S/C7H6ClN/c1-2-6-3-4-7(8)9-5-6/h2-5H,1H2
InChIKeyKIPXJMHTIVOLAO-UHFFFAOYSA-N
MW139.58 g/mol
LogP2.38
Rot. Bonds1

About 2-chloro-5-ethenylpyridine

2-chloro-5-ethenylpyridine (PubChem CID 11815443) has the molecular formula C7H6ClN and a molecular weight of 139.58 g/mol. Its IUPAC name is 2-chloro-5-ethenylpyridine.

Molecular Properties

Compound Name2-chloro-5-ethenylpyridine
PubChem CID11815443
Molecular FormulaC7H6ClN
Molecular Weight139.58 g/mol
Exact Mass139.02
IUPAC Name2-chloro-5-ethenylpyridine
SMILESC=Cc1ccc(Cl)nc1
InChIInChI=1S/C7H6ClN/c1-2-6-3-4-7(8)9-5-6/h2-5H,1H2
InChIKeyKIPXJMHTIVOLAO-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethenylpyridine?
The IUPAC name of 2-chloro-5-ethenylpyridine (CID 11815443) is 2-chloro-5-ethenylpyridine.
What is the SMILES notation for 2-chloro-5-ethenylpyridine?
The canonical SMILES for 2-chloro-5-ethenylpyridine is C=Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-ethenylpyridine?
The InChIKey is KIPXJMHTIVOLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN/c1-2-6-3-4-7(8)9-5-6/h2-5H,1H2.
What are the key properties of 2-chloro-5-ethenylpyridine?
2-chloro-5-ethenylpyridine has a molecular weight of 139.58 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethenylpyridine is sourced from PubChem (CID 11815443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).