1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one

C15H13Cl2NO2 — CID 82519154

IUPAC1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(CO)ccc(-c2ccc(Cl)cc2Cl)n1C1CC1
InChIInChI=1S/C15H13Cl2NO2/c16-10-2-5-12(13(17)7-10)14-6-1-9(8-19)15(20)18(14)11-3-4-11/h1-2,5-7,11,19H,3-4,8H2
InChIKeyGBSNGVBUXLJIOQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.65
Rot. Bonds3

About 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one

1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one (PubChem CID 82519154) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one
PubChem CID82519154
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(CO)ccc(-c2ccc(Cl)cc2Cl)n1C1CC1
InChIInChI=1S/C15H13Cl2NO2/c16-10-2-5-12(13(17)7-10)14-6-1-9(8-19)15(20)18(14)11-3-4-11/h1-2,5-7,11,19H,3-4,8H2
InChIKeyGBSNGVBUXLJIOQ-UHFFFAOYSA-N
XLogP3.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopropyl-6-(2,5-dichlorophenyl)pyridin-2-one
CID 82466970
[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol
CID 90910629
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
[2-(2,4-dichlorophenyl)-5-fluorophenyl]methanol
CID 118807413
(1R,5S)-3-[5-(2,4-dichlorophenyl)-2-ethylphenyl]bicyclo[3.2.1]octane-2,4-dione
CID 90726045
[5-(2-bromo-4-chlorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 107995809
1-cyclopropyl-5-(2,5-dichloro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 104728027
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
(4-chloro-2-cyclopentylsulfanylphenyl)methanol
CID 114865639

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one (CID 82519154) is 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one is O=c1c(CO)ccc(-c2ccc(Cl)cc2Cl)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one?
The InChIKey is GBSNGVBUXLJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-10-2-5-12(13(17)7-10)14-6-1-9(8-19)15(20)18(14)11-3-4-11/h1-2,5-7,11,19H,3-4,8H2.
What are the key properties of 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one?
1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one has a molecular weight of 310.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 82519154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).