2-chloro-5-[(E)-prop-1-enyl]pyridine

C8H8ClN — CID 56977601

IUPAC2-chloro-5-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClN/c1-2-3-7-4-5-8(9)10-6-7/h2-6H,1H3/b3-2+
InChIKeyGWULELZPAXTWGX-NSCUHMNNSA-N
MW153.61 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-5-[(E)-prop-1-enyl]pyridine

2-chloro-5-[(E)-prop-1-enyl]pyridine (PubChem CID 56977601) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 2-chloro-5-[(E)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(E)-prop-1-enyl]pyridine
PubChem CID56977601
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name2-chloro-5-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClN/c1-2-3-7-4-5-8(9)10-6-7/h2-6H,1H3/b3-2+
InChIKeyGWULELZPAXTWGX-NSCUHMNNSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.77
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-[(E)-prop-1-enyl]pyridine?
The IUPAC name of 2-chloro-5-[(E)-prop-1-enyl]pyridine (CID 56977601) is 2-chloro-5-[(E)-prop-1-enyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(E)-prop-1-enyl]pyridine?
The canonical SMILES for 2-chloro-5-[(E)-prop-1-enyl]pyridine is C/C=C/c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(E)-prop-1-enyl]pyridine?
The InChIKey is GWULELZPAXTWGX-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8ClN/c1-2-3-7-4-5-8(9)10-6-7/h2-6H,1H3/b3-2+.
What are the key properties of 2-chloro-5-[(E)-prop-1-enyl]pyridine?
2-chloro-5-[(E)-prop-1-enyl]pyridine has a molecular weight of 153.61 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(E)-prop-1-enyl]pyridine is sourced from PubChem (CID 56977601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).