2-chloro-1-(2-methoxyethyl)pyridin-4-one

C8H10ClNO2 — CID 130711091

IUPAC2-chloro-1-(2-methoxyethyl)pyridin-4-one
SMILESCOCCn1ccc(=O)cc1Cl
InChIInChI=1S/C8H10ClNO2/c1-12-5-4-10-3-2-7(11)6-8(10)9/h2-3,6H,4-5H2,1H3
InChIKeyOXAJDNVMAIJVGM-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.15
Rot. Bonds3

About 2-chloro-1-(2-methoxyethyl)pyridin-4-one

2-chloro-1-(2-methoxyethyl)pyridin-4-one (PubChem CID 130711091) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxyethyl)pyridin-4-one.

Molecular Properties

Compound Name2-chloro-1-(2-methoxyethyl)pyridin-4-one
PubChem CID130711091
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-chloro-1-(2-methoxyethyl)pyridin-4-one
SMILESCOCCn1ccc(=O)cc1Cl
InChIInChI=1S/C8H10ClNO2/c1-12-5-4-10-3-2-7(11)6-8(10)9/h2-3,6H,4-5H2,1H3
InChIKeyOXAJDNVMAIJVGM-UHFFFAOYSA-N
XLogP1.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-1-(2-methoxyethyl)pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxyethyl)pyridin-4-one?
The IUPAC name of 2-chloro-1-(2-methoxyethyl)pyridin-4-one (CID 130711091) is 2-chloro-1-(2-methoxyethyl)pyridin-4-one.
What is the SMILES notation for 2-chloro-1-(2-methoxyethyl)pyridin-4-one?
The canonical SMILES for 2-chloro-1-(2-methoxyethyl)pyridin-4-one is COCCn1ccc(=O)cc1Cl.
What is the InChIKey of 2-chloro-1-(2-methoxyethyl)pyridin-4-one?
The InChIKey is OXAJDNVMAIJVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-5-4-10-3-2-7(11)6-8(10)9/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-chloro-1-(2-methoxyethyl)pyridin-4-one?
2-chloro-1-(2-methoxyethyl)pyridin-4-one has a molecular weight of 187.63 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methoxyethyl)pyridin-4-one is sourced from PubChem (CID 130711091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).