6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one

C19H17ClN2O — CID 166478892

IUPAC6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(=O)[nH]1
InChIInChI=1S/C19H17ClN2O/c1-19(12-14-6-3-2-4-7-14,16-11-10-15(20)13-21-16)17-8-5-9-18(23)22-17/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyJYJRJMIILQFJLN-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.97
Rot. Bonds4

About 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one

6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one (PubChem CID 166478892) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one
PubChem CID166478892
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one
SMILESCC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(=O)[nH]1
InChIInChI=1S/C19H17ClN2O/c1-19(12-14-6-3-2-4-7-14,16-11-10-15(20)13-21-16)17-8-5-9-18(23)22-17/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyJYJRJMIILQFJLN-UHFFFAOYSA-N
XLogP3.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one (CID 166478892) is 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one is CC(Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one?
The InChIKey is JYJRJMIILQFJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-19(12-14-6-3-2-4-7-14,16-11-10-15(20)13-21-16)17-8-5-9-18(23)22-17/h2-11,13H,12H2,1H3,(H,22,23).
What are the key properties of 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one?
6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one has a molecular weight of 324.81 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-pyridinyl)-1-phenylpropan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166478892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).