3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one

C9H12ClNO2 — CID 82526537

IUPAC3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(CCl)c1=O
InChIInChI=1S/C9H12ClNO2/c1-13-6-5-11-4-2-3-8(7-10)9(11)12/h2-4H,5-7H2,1H3
InChIKeyWLJQTQKCFYQTKQ-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.23
Rot. Bonds4

About 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one

3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 82526537) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one
PubChem CID82526537
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(CCl)c1=O
InChIInChI=1S/C9H12ClNO2/c1-13-6-5-11-4-2-3-8(7-10)9(11)12/h2-4H,5-7H2,1H3
InChIKeyWLJQTQKCFYQTKQ-UHFFFAOYSA-N
XLogP1.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-3-chloromethyl-2-pyridone
CID 22266503
5-Chloro-1-(2-methoxyethyl)pyridin-2-one
CID 54154985
1-(4-chlorobutyl)-3-methyl-2(1H)-pyridinone
CID 59234642
6-chloro-1-(2-methoxy-ethyl)-1H-pyridin-2-one
CID 68285459
1-(2-Methoxyethyl)-3-methylpyridin-2-one
CID 84317500
3-Chloro-1-(2-methoxyethyl)pyridin-2-one
CID 134186643
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-(chloromethyl)pyridin-2-one
CID 168254430
3-(Chloromethyl)-1-prop-2-enylpyridin-2-one
CID 169725762
[(2S)-1-[3-(chloromethyl)-2-oxo-1-pyridinyl]propan-2-yl] carbamate
CID 175530998
Ethane;1-(2-ethoxyethyl)-3-methylpyridin-2-one
CID 178098992
Ethane;1-(2-methoxyethyl)-3-methylpyridin-2-one
CID 178099053
Ethane;1-(2-methoxypropyl)-3-methylpyridin-2-one
CID 178099105

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one (CID 82526537) is 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one is COCCn1cccc(CCl)c1=O.
What is the InChIKey of 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is WLJQTQKCFYQTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-13-6-5-11-4-2-3-8(7-10)9(11)12/h2-4H,5-7H2,1H3.
What are the key properties of 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one?
3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 201.65 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 82526537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).