6-chloro-2-phenyl-1H-pyridazine-3,4-dione

C10H7ClN2O2 — CID 779542

IUPAC6-chloro-2-phenyl-1H-pyridazine-3,4-dione
SMILESO=c1cc(Cl)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C10H7ClN2O2/c11-9-6-8(14)10(15)13(12-9)7-4-2-1-3-5-7/h1-6,12H
InChIKeyLJFFFUUZQQTIDT-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.18
Rot. Bonds1

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

6-chloro-2-phenyl-1H-pyridazine-3,4-dione (PubChem CID 779542) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-chloro-2-phenyl-1H-pyridazine-3,4-dione.

Molecular Properties

Compound Name6-chloro-2-phenyl-1H-pyridazine-3,4-dione
PubChem CID779542
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name6-chloro-2-phenyl-1H-pyridazine-3,4-dione
SMILESO=c1cc(Cl)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C10H7ClN2O2/c11-9-6-8(14)10(15)13(12-9)7-4-2-1-3-5-7/h1-6,12H
InChIKeyLJFFFUUZQQTIDT-UHFFFAOYSA-N
XLogP1.18
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-1H-pyridazine-3,4-dione?
The IUPAC name of 6-chloro-2-phenyl-1H-pyridazine-3,4-dione (CID 779542) is 6-chloro-2-phenyl-1H-pyridazine-3,4-dione.
What is the SMILES notation for 6-chloro-2-phenyl-1H-pyridazine-3,4-dione?
The canonical SMILES for 6-chloro-2-phenyl-1H-pyridazine-3,4-dione is O=c1cc(Cl)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 6-chloro-2-phenyl-1H-pyridazine-3,4-dione?
The InChIKey is LJFFFUUZQQTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-6-8(14)10(15)13(12-9)7-4-2-1-3-5-7/h1-6,12H.
What are the key properties of 6-chloro-2-phenyl-1H-pyridazine-3,4-dione?
6-chloro-2-phenyl-1H-pyridazine-3,4-dione has a molecular weight of 222.63 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-1H-pyridazine-3,4-dione is sourced from PubChem (CID 779542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).