6-chloro-5-ethenyl-1H-pyridin-2-one

C7H6ClNO — CID 74892735

IUPAC6-chloro-5-ethenyl-1H-pyridin-2-one
SMILESC=Cc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClNO/c1-2-5-3-4-6(10)9-7(5)8/h2-4H,1H2,(H,9,10)
InChIKeyBLNRFNKCNRJLQF-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.67
Rot. Bonds1

About 6-chloro-5-ethenyl-1H-pyridin-2-one

6-chloro-5-ethenyl-1H-pyridin-2-one (PubChem CID 74892735) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 6-chloro-5-ethenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-ethenyl-1H-pyridin-2-one
PubChem CID74892735
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name6-chloro-5-ethenyl-1H-pyridin-2-one
SMILESC=Cc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClNO/c1-2-5-3-4-6(10)9-7(5)8/h2-4H,1H2,(H,9,10)
InChIKeyBLNRFNKCNRJLQF-UHFFFAOYSA-N
XLogP1.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 6-chloro-5-ethenyl-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-ethenyl-1H-pyridin-2-one (CID 74892735) is 6-chloro-5-ethenyl-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-ethenyl-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-ethenyl-1H-pyridin-2-one is C=Cc1ccc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-ethenyl-1H-pyridin-2-one?
The InChIKey is BLNRFNKCNRJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c1-2-5-3-4-6(10)9-7(5)8/h2-4H,1H2,(H,9,10).
What are the key properties of 6-chloro-5-ethenyl-1H-pyridin-2-one?
6-chloro-5-ethenyl-1H-pyridin-2-one has a molecular weight of 155.58 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethenyl-1H-pyridin-2-one is sourced from PubChem (CID 74892735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).