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

C8H10ClNO2 — CID 54154985

IUPAC5-chloro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(Cl)ccc1=O
InChIInChI=1S/C8H10ClNO2/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyKCRDYMQLPGUWJM-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.15
Rot. Bonds3

About 5-chloro-1-(2-methoxyethyl)pyridin-2-one

5-chloro-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 54154985) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(2-methoxyethyl)pyridin-2-one
PubChem CID54154985
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name5-chloro-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(Cl)ccc1=O
InChIInChI=1S/C8H10ClNO2/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyKCRDYMQLPGUWJM-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 5-chloro-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-chloro-1-(2-methoxyethyl)pyridin-2-one (CID 54154985) is 5-chloro-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-chloro-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-chloro-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(Cl)ccc1=O.
What is the InChIKey of 5-chloro-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is KCRDYMQLPGUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-chloro-1-(2-methoxyethyl)pyridin-2-one?
5-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 5-chloro-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 54154985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).