2-chloro-5-ethenyl-2,3-dihydropyridine

C7H8ClN — CID 89361625

IUPAC2-chloro-5-ethenyl-2,3-dihydropyridine
SMILESC=CC1=CCC(Cl)N=C1
InChIInChI=1S/C7H8ClN/c1-2-6-3-4-7(8)9-5-6/h2-3,5,7H,1,4H2
InChIKeyDHEAHVMSSUOGLU-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.14
Rot. Bonds1

About 2-chloro-5-ethenyl-2,3-dihydropyridine

2-chloro-5-ethenyl-2,3-dihydropyridine (PubChem CID 89361625) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-chloro-5-ethenyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-5-ethenyl-2,3-dihydropyridine
PubChem CID89361625
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name2-chloro-5-ethenyl-2,3-dihydropyridine
SMILESC=CC1=CCC(Cl)N=C1
InChIInChI=1S/C7H8ClN/c1-2-6-3-4-7(8)9-5-6/h2-3,5,7H,1,4H2
InChIKeyDHEAHVMSSUOGLU-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethenyl-2,3-dihydropyridine?
The IUPAC name of 2-chloro-5-ethenyl-2,3-dihydropyridine (CID 89361625) is 2-chloro-5-ethenyl-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-5-ethenyl-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-5-ethenyl-2,3-dihydropyridine is C=CC1=CCC(Cl)N=C1.
What is the InChIKey of 2-chloro-5-ethenyl-2,3-dihydropyridine?
The InChIKey is DHEAHVMSSUOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-2-6-3-4-7(8)9-5-6/h2-3,5,7H,1,4H2.
What are the key properties of 2-chloro-5-ethenyl-2,3-dihydropyridine?
2-chloro-5-ethenyl-2,3-dihydropyridine has a molecular weight of 141.60 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethenyl-2,3-dihydropyridine is sourced from PubChem (CID 89361625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).