1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one

C11H9ClN2O — CID 57425780

IUPAC1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN2O/c12-10-5-3-4-9(13-10)8-14-7-2-1-6-11(14)15/h1-7H,8H2
InChIKeyFKAQSJJYGMFATB-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.95
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one

1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 57425780) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one
PubChem CID57425780
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN2O/c12-10-5-3-4-9(13-10)8-14-7-2-1-6-11(14)15/h1-7H,8H2
InChIKeyFKAQSJJYGMFATB-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one (CID 57425780) is 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one is O=c1ccccn1Cc1cccc(Cl)n1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is FKAQSJJYGMFATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-5-3-4-9(13-10)8-14-7-2-1-6-11(14)15/h1-7H,8H2.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one?
1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one has a molecular weight of 220.66 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 57425780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).