3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one

C13H11Cl2NO2 — CID 2781927

IUPAC3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8-13(12(17)4-5-16-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyADYDVUVRSUDGRW-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.57
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one

3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 2781927) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
PubChem CID2781927
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-8-13(12(17)4-5-16-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyADYDVUVRSUDGRW-UHFFFAOYSA-N
XLogP3.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one (CID 2781927) is 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is ADYDVUVRSUDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8-13(12(17)4-5-16-8)18-7-9-2-3-10(14)6-11(9)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one?
3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 284.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 2781927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).