5-acetyl-6-chloro-1H-pyridin-2-one

C7H6ClNO2 — CID 126497931

IUPAC5-acetyl-6-chloro-1H-pyridin-2-one
SMILESCC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClNO2/c1-4(10)5-2-3-6(11)9-7(5)8/h2-3H,1H3,(H,9,11)
InChIKeyYQDRHVQDRQSAQX-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.23
Rot. Bonds1

About 5-acetyl-6-chloro-1H-pyridin-2-one

5-acetyl-6-chloro-1H-pyridin-2-one (PubChem CID 126497931) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 5-acetyl-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-chloro-1H-pyridin-2-one
PubChem CID126497931
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name5-acetyl-6-chloro-1H-pyridin-2-one
SMILESCC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClNO2/c1-4(10)5-2-3-6(11)9-7(5)8/h2-3H,1H3,(H,9,11)
InChIKeyYQDRHVQDRQSAQX-UHFFFAOYSA-N
XLogP1.23
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 5-acetyl-6-chloro-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-chloro-1H-pyridin-2-one (CID 126497931) is 5-acetyl-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-chloro-1H-pyridin-2-one is CC(=O)c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 5-acetyl-6-chloro-1H-pyridin-2-one?
The InChIKey is YQDRHVQDRQSAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c1-4(10)5-2-3-6(11)9-7(5)8/h2-3H,1H3,(H,9,11).
What are the key properties of 5-acetyl-6-chloro-1H-pyridin-2-one?
5-acetyl-6-chloro-1H-pyridin-2-one has a molecular weight of 171.58 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 126497931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).