4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione

C10H6Cl2N2O2 — CID 796608

IUPAC4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-8(12)10(16)14(13-9(7)15)6-4-2-1-3-5-6/h1-5H,(H,13,15)
InChIKeyRLDVCUFZRBFQJE-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.83
Rot. Bonds1

About 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione

4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione (PubChem CID 796608) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
PubChem CID796608
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-8(12)10(16)14(13-9(7)15)6-4-2-1-3-5-6/h1-5H,(H,13,15)
InChIKeyRLDVCUFZRBFQJE-UHFFFAOYSA-N
XLogP1.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione (CID 796608) is 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione is O=c1[nH]n(-c2ccccc2)c(=O)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione?
The InChIKey is RLDVCUFZRBFQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-7-8(12)10(16)14(13-9(7)15)6-4-2-1-3-5-6/h1-5H,(H,13,15).
What are the key properties of 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione?
4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione has a molecular weight of 257.08 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 796608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).