4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one

C14H12Cl2N2O2 — CID 2471413

IUPAC4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-2-9-3-5-10(6-4-9)12(19)8-18-14(20)13(16)11(15)7-17-18/h3-7H,2,8H2,1H3
InChIKeyBQQGDSBHPFKTNO-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.00
Rot. Bonds4

About 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 2471413) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID2471413
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-2-9-3-5-10(6-4-9)12(19)8-18-14(20)13(16)11(15)7-17-18/h3-7H,2,8H2,1H3
InChIKeyBQQGDSBHPFKTNO-UHFFFAOYSA-N
XLogP3.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one (CID 2471413) is 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one is CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is BQQGDSBHPFKTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-2-9-3-5-10(6-4-9)12(19)8-18-14(20)13(16)11(15)7-17-18/h3-7H,2,8H2,1H3.
What are the key properties of 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 311.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 2471413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).