2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one

C12H9ClN2O2 — CID 55127113

IUPAC2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7H,8H2
InChIKeySRSWVBPZTRXKRX-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.78
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one

2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 55127113) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID55127113
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7H,8H2
InChIKeySRSWVBPZTRXKRX-UHFFFAOYSA-N
XLogP1.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one (CID 55127113) is 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is SRSWVBPZTRXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7H,8H2.
What are the key properties of 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one?
2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 248.67 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 55127113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).