6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one

C7H8ClNO2 — CID 89422878

IUPAC6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one
SMILESCCc1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C7H8ClNO2/c1-2-4-5(10)3-6(11)9-7(4)8/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyQBDHQCNQDWWIRK-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.30
Rot. Bonds1

About 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one

6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one (PubChem CID 89422878) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one
PubChem CID89422878
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one
SMILESCCc1c(O)cc(=O)[nH]c1Cl
InChIInChI=1S/C7H8ClNO2/c1-2-4-5(10)3-6(11)9-7(4)8/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyQBDHQCNQDWWIRK-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one (CID 89422878) is 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one is CCc1c(O)cc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one?
The InChIKey is QBDHQCNQDWWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-2-4-5(10)3-6(11)9-7(4)8/h3H,2H2,1H3,(H2,9,10,11).
What are the key properties of 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one?
6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one has a molecular weight of 173.60 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 89422878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).