1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one

C15H17ClN2O2 — CID 67920630

IUPAC1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one
SMILESO=c1ccccn1CCC(CCCl)n1ccccc1=O
InChIInChI=1S/C15H17ClN2O2/c16-9-7-13(18-11-4-2-6-15(18)20)8-12-17-10-3-1-5-14(17)19/h1-6,10-11,13H,7-9,12H2
InChIKeyHGYYNOZECRWLHI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.27
Rot. Bonds6

About 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one

1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one (PubChem CID 67920630) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one.

Molecular Properties

Compound Name1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one
PubChem CID67920630
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one
SMILESO=c1ccccn1CCC(CCCl)n1ccccc1=O
InChIInChI=1S/C15H17ClN2O2/c16-9-7-13(18-11-4-2-6-15(18)20)8-12-17-10-3-1-5-14(17)19/h1-6,10-11,13H,7-9,12H2
InChIKeyHGYYNOZECRWLHI-UHFFFAOYSA-N
XLogP2.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one?
The IUPAC name of 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one (CID 67920630) is 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one.
What is the SMILES notation for 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one?
The canonical SMILES for 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one is O=c1ccccn1CCC(CCCl)n1ccccc1=O.
What is the InChIKey of 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one?
The InChIKey is HGYYNOZECRWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-9-7-13(18-11-4-2-6-15(18)20)8-12-17-10-3-1-5-14(17)19/h1-6,10-11,13H,7-9,12H2.
What are the key properties of 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one?
1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one is sourced from PubChem (CID 67920630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).