6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

C23H17ClN2O2 — CID 122196398

IUPAC6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccccn3)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H17ClN2O2/c24-18-8-4-17(5-9-18)23-21(12-13-22(27)26-23)16-6-10-20(11-7-16)28-15-19-3-1-2-14-25-19/h1-14H,15H2,(H,26,27)
InChIKeyOQUYUKJWEZCAJN-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.34
Rot. Bonds5

About 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196398) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196398
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccccn3)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H17ClN2O2/c24-18-8-4-17(5-9-18)23-21(12-13-22(27)26-23)16-6-10-20(11-7-16)28-15-19-3-1-2-14-25-19/h1-14H,15H2,(H,26,27)
InChIKeyOQUYUKJWEZCAJN-UHFFFAOYSA-N
XLogP5.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196398) is 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccccn3)cc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is OQUYUKJWEZCAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-18-8-4-17(5-9-18)23-21(12-13-22(27)26-23)16-6-10-20(11-7-16)28-15-19-3-1-2-14-25-19/h1-14H,15H2,(H,26,27).
What are the key properties of 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 388.85 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).