6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione

C11H9ClN2O2 — CID 71270354

IUPAC6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(Cc2ccc(Cl)cc2)[nH][nH]c1=O
InChIInChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
InChIKeyNTQJIGODKGILKS-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.31
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione

6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 71270354) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID71270354
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(Cc2ccc(Cl)cc2)[nH][nH]c1=O
InChIInChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16)
InChIKeyNTQJIGODKGILKS-UHFFFAOYSA-N
XLogP1.31
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione (CID 71270354) is 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione is O=c1cc(Cc2ccc(Cl)cc2)[nH][nH]c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is NTQJIGODKGILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)5-9-6-10(15)11(16)14-13-9/h1-4,6H,5H2,(H,13,15)(H,14,16).
What are the key properties of 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione?
6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 236.66 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71270354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).