1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione

C19H16ClNOS — CID 66559319

IUPAC1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione
SMILESCc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNOS/c1-13-19(22)18(23)10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(20)9-7-16/h2-11,22H,12H2,1H3
InChIKeyPRDFWGWFGFRZIH-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.60
Rot. Bonds3

About 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione

1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione (PubChem CID 66559319) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione
PubChem CID66559319
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC Name1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione
SMILESCc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNOS/c1-13-19(22)18(23)10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(20)9-7-16/h2-11,22H,12H2,1H3
InChIKeyPRDFWGWFGFRZIH-UHFFFAOYSA-N
XLogP5.60
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione?
The IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione (CID 66559319) is 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione?
The canonical SMILES for 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione is Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione?
The InChIKey is PRDFWGWFGFRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-13-19(22)18(23)10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(20)9-7-16/h2-11,22H,12H2,1H3.
What are the key properties of 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione?
1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione has a molecular weight of 341.86 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione is sourced from PubChem (CID 66559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).