4-[(E)-3-chloroprop-1-enyl]pyridine

C8H8ClN — CID 19985704

IUPAC4-[(E)-3-chloroprop-1-enyl]pyridine
SMILESClC/C=C/c1ccncc1
InChIInChI=1S/C8H8ClN/c9-5-1-2-8-3-6-10-7-4-8/h1-4,6-7H,5H2/b2-1+
InChIKeyUYMGBAUTWCNFIZ-OWOJBTEDSA-N
MW153.61 g/mol
LogP2.33
Rot. Bonds2

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

4-[(E)-3-chloroprop-1-enyl]pyridine (PubChem CID 19985704) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-1-enyl]pyridine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-1-enyl]pyridine
PubChem CID19985704
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name4-[(E)-3-chloroprop-1-enyl]pyridine
SMILESClC/C=C/c1ccncc1
InChIInChI=1S/C8H8ClN/c9-5-1-2-8-3-6-10-7-4-8/h1-4,6-7H,5H2/b2-1+
InChIKeyUYMGBAUTWCNFIZ-OWOJBTEDSA-N
XLogP2.33
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 ≤ 52.33
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 4-[(E)-3-chloroprop-1-enyl]pyridine?
The IUPAC name of 4-[(E)-3-chloroprop-1-enyl]pyridine (CID 19985704) is 4-[(E)-3-chloroprop-1-enyl]pyridine.
What is the SMILES notation for 4-[(E)-3-chloroprop-1-enyl]pyridine?
The canonical SMILES for 4-[(E)-3-chloroprop-1-enyl]pyridine is ClC/C=C/c1ccncc1.
What is the InChIKey of 4-[(E)-3-chloroprop-1-enyl]pyridine?
The InChIKey is UYMGBAUTWCNFIZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H8ClN/c9-5-1-2-8-3-6-10-7-4-8/h1-4,6-7H,5H2/b2-1+.
What are the key properties of 4-[(E)-3-chloroprop-1-enyl]pyridine?
4-[(E)-3-chloroprop-1-enyl]pyridine has a molecular weight of 153.61 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-1-enyl]pyridine is sourced from PubChem (CID 19985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).