5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one

C23H16ClNO2 — CID 54687608

IUPAC5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c(Cl)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-20-21(17-12-6-2-7-13-17)25(18-14-8-3-9-15-18)23(27)19(22(20)26)16-10-4-1-5-11-16/h1-15,26H
InChIKeyNRAIPRSFZBQYKG-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.53
Rot. Bonds3

About 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one

5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one (PubChem CID 54687608) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one
PubChem CID54687608
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESO=c1c(-c2ccccc2)c(O)c(Cl)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C23H16ClNO2/c24-20-21(17-12-6-2-7-13-17)25(18-14-8-3-9-15-18)23(27)19(22(20)26)16-10-4-1-5-11-16/h1-15,26H
InChIKeyNRAIPRSFZBQYKG-UHFFFAOYSA-N
XLogP5.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The IUPAC name of 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one (CID 54687608) is 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one.
What is the SMILES notation for 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The canonical SMILES for 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one is O=c1c(-c2ccccc2)c(O)c(Cl)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The InChIKey is NRAIPRSFZBQYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-20-21(17-12-6-2-7-13-17)25(18-14-8-3-9-15-18)23(27)19(22(20)26)16-10-4-1-5-11-16/h1-15,26H.
What are the key properties of 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one?
5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one has a molecular weight of 373.84 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-1,3,6-triphenylpyridin-2-one is sourced from PubChem (CID 54687608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).