6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one

C16H18ClNO2 — CID 82519259

IUPAC6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O
InChIInChI=1S/C16H18ClNO2/c1-11(2)9-18-15(8-5-13(10-19)16(18)20)12-3-6-14(17)7-4-12/h3-8,11,19H,9-10H2,1-2H3
InChIKeyZNTOSMBOHNLMIX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.32
Rot. Bonds4

About 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one

6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82519259) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID82519259
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O
InChIInChI=1S/C16H18ClNO2/c1-11(2)9-18-15(8-5-13(10-19)16(18)20)12-3-6-14(17)7-4-12/h3-8,11,19H,9-10H2,1-2H3
InChIKeyZNTOSMBOHNLMIX-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519507
3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
CID 82466944
1-butan-2-yl-3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520385
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one (CID 82519259) is 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is ZNTOSMBOHNLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11(2)9-18-15(8-5-13(10-19)16(18)20)12-3-6-14(17)7-4-12/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one?
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 291.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82519259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).