4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one

C11H9Cl2N3O2 — CID 115598325

IUPAC4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one
SMILESO=c1ccccn1CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H9Cl2N3O2/c12-8-7-14-16(11(18)10(8)13)6-5-15-4-2-1-3-9(15)17/h1-4,7H,5-6H2
InChIKeyIWTVVIRCHFYNFQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.41
Rot. Bonds3

About 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one

4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one (PubChem CID 115598325) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one
PubChem CID115598325
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one
SMILESO=c1ccccn1CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H9Cl2N3O2/c12-8-7-14-16(11(18)10(8)13)6-5-15-4-2-1-3-9(15)17/h1-4,7H,5-6H2
InChIKeyIWTVVIRCHFYNFQ-UHFFFAOYSA-N
XLogP1.41
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one (CID 115598325) is 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one is O=c1ccccn1CCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one?
The InChIKey is IWTVVIRCHFYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c12-8-7-14-16(11(18)10(8)13)6-5-15-4-2-1-3-9(15)17/h1-4,7H,5-6H2.
What are the key properties of 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one has a molecular weight of 286.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(2-oxo-1-pyridinyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 115598325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).