1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one

C13H12ClNO2 — CID 131996530

IUPAC1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCl)cc2)c1
InChIInChI=1S/C13H12ClNO2/c1-10-2-7-13(16)15(8-10)11-3-5-12(6-4-11)17-9-14/h2-8H,9H2,1H3
InChIKeyHQANBMCWGMWWON-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.72
Rot. Bonds3

About 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one

1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one (PubChem CID 131996530) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one
PubChem CID131996530
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCl)cc2)c1
InChIInChI=1S/C13H12ClNO2/c1-10-2-7-13(16)15(8-10)11-3-5-12(6-4-11)17-9-14/h2-8H,9H2,1H3
InChIKeyHQANBMCWGMWWON-UHFFFAOYSA-N
XLogP2.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one?
The IUPAC name of 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one (CID 131996530) is 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one.
What is the SMILES notation for 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one?
The canonical SMILES for 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one is Cc1ccc(=O)n(-c2ccc(OCCl)cc2)c1.
What is the InChIKey of 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one?
The InChIKey is HQANBMCWGMWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-10-2-7-13(16)15(8-10)11-3-5-12(6-4-11)17-9-14/h2-8H,9H2,1H3.
What are the key properties of 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one?
1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one has a molecular weight of 249.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one is sourced from PubChem (CID 131996530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).