5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one

C12H12ClN3O2 — CID 64601750

IUPAC5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOc2cncc(Cl)c2)c1
InChIInChI=1S/C12H12ClN3O2/c13-9-5-11(7-15-6-9)18-4-3-16-8-10(14)1-2-12(16)17/h1-2,5-8H,3-4,14H2
InChIKeyQXDWXULONWQZBK-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.56
Rot. Bonds4

About 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one

5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one (PubChem CID 64601750) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
PubChem CID64601750
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOc2cncc(Cl)c2)c1
InChIInChI=1S/C12H12ClN3O2/c13-9-5-11(7-15-6-9)18-4-3-16-8-10(14)1-2-12(16)17/h1-2,5-8H,3-4,14H2
InChIKeyQXDWXULONWQZBK-UHFFFAOYSA-N
XLogP1.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one (CID 64601750) is 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one is Nc1ccc(=O)n(CCOc2cncc(Cl)c2)c1.
What is the InChIKey of 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one?
The InChIKey is QXDWXULONWQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-5-11(7-15-6-9)18-4-3-16-8-10(14)1-2-12(16)17/h1-2,5-8H,3-4,14H2.
What are the key properties of 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one?
5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one has a molecular weight of 265.70 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one is sourced from PubChem (CID 64601750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).