5-(2-chloroethyl)-1H-pyridin-2-one

C7H8ClNO — CID 19781618

IUPAC5-(2-chloroethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CCCl)c[nH]1
InChIInChI=1S/C7H8ClNO/c8-4-3-6-1-2-7(10)9-5-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyCMZLNCGVWNPVLZ-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.16
Rot. Bonds2

About 5-(2-chloroethyl)-1H-pyridin-2-one

5-(2-chloroethyl)-1H-pyridin-2-one (PubChem CID 19781618) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-(2-chloroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-1H-pyridin-2-one
PubChem CID19781618
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name5-(2-chloroethyl)-1H-pyridin-2-one
SMILESO=c1ccc(CCCl)c[nH]1
InChIInChI=1S/C7H8ClNO/c8-4-3-6-1-2-7(10)9-5-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyCMZLNCGVWNPVLZ-UHFFFAOYSA-N
XLogP1.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 5-(2-chloroethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-chloroethyl)-1H-pyridin-2-one (CID 19781618) is 5-(2-chloroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-chloroethyl)-1H-pyridin-2-one is O=c1ccc(CCCl)c[nH]1.
What is the InChIKey of 5-(2-chloroethyl)-1H-pyridin-2-one?
The InChIKey is CMZLNCGVWNPVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-4-3-6-1-2-7(10)9-5-6/h1-2,5H,3-4H2,(H,9,10).
What are the key properties of 5-(2-chloroethyl)-1H-pyridin-2-one?
5-(2-chloroethyl)-1H-pyridin-2-one has a molecular weight of 157.60 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19781618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).