5-chloro-4-ethoxy-1H-pyridin-2-one

C7H8ClNO2 — CID 119093250

IUPAC5-chloro-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C7H8ClNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyKLPRKXHCYQZOOC-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.43
Rot. Bonds2

About 5-chloro-4-ethoxy-1H-pyridin-2-one

5-chloro-4-ethoxy-1H-pyridin-2-one (PubChem CID 119093250) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-ethoxy-1H-pyridin-2-one
PubChem CID119093250
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name5-chloro-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C7H8ClNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyKLPRKXHCYQZOOC-UHFFFAOYSA-N
XLogP1.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4-ethoxy-1H-pyridin-2-one (CID 119093250) is 5-chloro-4-ethoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4-ethoxy-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4-ethoxy-1H-pyridin-2-one is CCOc1cc(=O)[nH]cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-1H-pyridin-2-one?
The InChIKey is KLPRKXHCYQZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-chloro-4-ethoxy-1H-pyridin-2-one?
5-chloro-4-ethoxy-1H-pyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-1H-pyridin-2-one is sourced from PubChem (CID 119093250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).