3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

C21H14ClN3O — CID 10269856

IUPAC3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H14ClN3O/c22-19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-24-20)14-25(21(18)26)16-6-5-10-23-13-16/h1-14H
InChIKeyMRTOEHCBCUGICH-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.61
Rot. Bonds3

About 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (PubChem CID 10269856) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
PubChem CID10269856
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C21H14ClN3O/c22-19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-24-20)14-25(21(18)26)16-6-5-10-23-13-16/h1-14H
InChIKeyMRTOEHCBCUGICH-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (CID 10269856) is 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2ccccc2Cl)cc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is MRTOEHCBCUGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-19-8-2-1-7-17(19)18-12-15(20-9-3-4-11-24-20)14-25(21(18)26)16-6-5-10-23-13-16/h1-14H.
What are the key properties of 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 359.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 10269856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).