3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one

C12H9Cl2NO2 — CID 133093059

IUPAC3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-8-1-2-9(11(14)4-8)10-3-7(6-16)5-15-12(10)17/h1-5,16H,6H2,(H,15,17)
InChIKeyGVJOEFHYKQMWFP-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.84
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one

3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 133093059) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID133093059
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NO2/c13-8-1-2-9(11(14)4-8)10-3-7(6-16)5-15-12(10)17/h1-5,16H,6H2,(H,15,17)
InChIKeyGVJOEFHYKQMWFP-UHFFFAOYSA-N
XLogP2.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 133093059) is 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(CO)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is GVJOEFHYKQMWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-8-1-2-9(11(14)4-8)10-3-7(6-16)5-15-12(10)17/h1-5,16H,6H2,(H,15,17).
What are the key properties of 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 270.12 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133093059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).