6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one

C11H9ClN2O — CID 177217684

IUPAC6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCc1cc(Cl)nc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C11H9ClN2O/c1-7-5-9(13-10(12)6-7)8-3-2-4-11(15)14-8/h2-6H,1H3,(H,14,15)
InChIKeyPBEUFFJADQXURA-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one

6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one (PubChem CID 177217684) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one
PubChem CID177217684
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCc1cc(Cl)nc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C11H9ClN2O/c1-7-5-9(13-10(12)6-7)8-3-2-4-11(15)14-8/h2-6H,1H3,(H,14,15)
InChIKeyPBEUFFJADQXURA-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one (CID 177217684) is 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one is Cc1cc(Cl)nc(-c2cccc(=O)[nH]2)c1.
What is the InChIKey of 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one?
The InChIKey is PBEUFFJADQXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-5-9(13-10(12)6-7)8-3-2-4-11(15)14-8/h2-6H,1H3,(H,14,15).
What are the key properties of 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one?
6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-4-methyl-2-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 177217684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).