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

C8H10ClNO2 — CID 134186643

IUPAC3-chloro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(Cl)c1=O
InChIInChI=1S/C8H10ClNO2/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6H2,1H3
InChIKeyGHDAAIYAOKAESC-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.15
Rot. Bonds3

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

3-chloro-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 134186643) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyethyl)pyridin-2-one
PubChem CID134186643
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name3-chloro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(Cl)c1=O
InChIInChI=1S/C8H10ClNO2/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6H2,1H3
InChIKeyGHDAAIYAOKAESC-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(2-methoxyethyl)pyridin-2-one (CID 134186643) is 3-chloro-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2-methoxyethyl)pyridin-2-one is COCCn1cccc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is GHDAAIYAOKAESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6H2,1H3.
What are the key properties of 3-chloro-1-(2-methoxyethyl)pyridin-2-one?
3-chloro-1-(2-methoxyethyl)pyridin-2-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 3-chloro-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 134186643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).