6-chloro-1-(2-hydroxyethyl)pyridin-2-one

C7H8ClNO2 — CID 23322310

IUPAC6-chloro-1-(2-hydroxyethyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1CCO
InChIInChI=1S/C7H8ClNO2/c8-6-2-1-3-7(11)9(6)4-5-10/h1-3,10H,4-5H2
InChIKeyOSBZGDVLOVCTOD-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.49
Rot. Bonds2

About 6-chloro-1-(2-hydroxyethyl)pyridin-2-one

6-chloro-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 23322310) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 6-chloro-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID23322310
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name6-chloro-1-(2-hydroxyethyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1CCO
InChIInChI=1S/C7H8ClNO2/c8-6-2-1-3-7(11)9(6)4-5-10/h1-3,10H,4-5H2
InChIKeyOSBZGDVLOVCTOD-UHFFFAOYSA-N
XLogP0.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 6-chloro-1-(2-hydroxyethyl)pyridin-2-one (CID 23322310) is 6-chloro-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2-hydroxyethyl)pyridin-2-one is O=c1cccc(Cl)n1CCO.
What is the InChIKey of 6-chloro-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is OSBZGDVLOVCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c8-6-2-1-3-7(11)9(6)4-5-10/h1-3,10H,4-5H2.
What are the key properties of 6-chloro-1-(2-hydroxyethyl)pyridin-2-one?
6-chloro-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 23322310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).