3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one

C17H14ClNO2S — CID 54691526

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccs1
InChIInChI=1S/C17H14ClNO2S/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2
InChIKeyZTXHCCJFYSABIS-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.91
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one (PubChem CID 54691526) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
PubChem CID54691526
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccs1
InChIInChI=1S/C17H14ClNO2S/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2
InChIKeyZTXHCCJFYSABIS-UHFFFAOYSA-N
XLogP3.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one (CID 54691526) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1cccs1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?
The InChIKey is ZTXHCCJFYSABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h1-9,20H,10-11H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one has a molecular weight of 331.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-(thiophen-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54691526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).