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

C8H8ClNO2 — CID 167158983

IUPAC6-chloro-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C8H8ClNO2/c1-2-6(11)5-3-4-7(12)10-8(5)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyCQEXDMWWROUVQM-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.62
Rot. Bonds2

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

6-chloro-5-propanoyl-1H-pyridin-2-one (PubChem CID 167158983) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 6-chloro-5-propanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-propanoyl-1H-pyridin-2-one
PubChem CID167158983
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name6-chloro-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C8H8ClNO2/c1-2-6(11)5-3-4-7(12)10-8(5)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyCQEXDMWWROUVQM-UHFFFAOYSA-N
XLogP1.62
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.62
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 6-chloro-5-propanoyl-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-propanoyl-1H-pyridin-2-one (CID 167158983) is 6-chloro-5-propanoyl-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-propanoyl-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-propanoyl-1H-pyridin-2-one is CCC(=O)c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-propanoyl-1H-pyridin-2-one?
The InChIKey is CQEXDMWWROUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-2-6(11)5-3-4-7(12)10-8(5)9/h3-4H,2H2,1H3,(H,10,12).
What are the key properties of 6-chloro-5-propanoyl-1H-pyridin-2-one?
6-chloro-5-propanoyl-1H-pyridin-2-one has a molecular weight of 185.61 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propanoyl-1H-pyridin-2-one is sourced from PubChem (CID 167158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).