3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one

C15H15Cl2NO2 — CID 59406001

IUPAC3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one
SMILESCc1ccc(CCn2c(CO)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-10-2-4-11(5-3-10)6-7-18-14(9-19)12(16)8-13(17)15(18)20/h2-5,8,19H,6-7,9H2,1H3
InChIKeyGJFUAYSWTUHKPV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.20
Rot. Bonds4

About 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one

3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one (PubChem CID 59406001) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one
PubChem CID59406001
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one
SMILESCc1ccc(CCn2c(CO)c(Cl)cc(Cl)c2=O)cc1
InChIInChI=1S/C15H15Cl2NO2/c1-10-2-4-11(5-3-10)6-7-18-14(9-19)12(16)8-13(17)15(18)20/h2-5,8,19H,6-7,9H2,1H3
InChIKeyGJFUAYSWTUHKPV-UHFFFAOYSA-N
XLogP3.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one (CID 59406001) is 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one is Cc1ccc(CCn2c(CO)c(Cl)cc(Cl)c2=O)cc1.
What is the InChIKey of 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one?
The InChIKey is GJFUAYSWTUHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-2-4-11(5-3-10)6-7-18-14(9-19)12(16)8-13(17)15(18)20/h2-5,8,19H,6-7,9H2,1H3.
What are the key properties of 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one?
3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one has a molecular weight of 312.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(hydroxymethyl)-1-[2-(4-methylphenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 59406001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).