2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione

C11H9ClN2O2 — CID 586925

IUPAC2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccc(-n2[nH]c(=O)ccc2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(6-9(7)12)14-11(16)5-4-10(15)13-14/h2-6H,1H3,(H,13,15)
InChIKeyGKFYRVUNLUFMJX-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.49
Rot. Bonds1

About 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione

2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione (PubChem CID 586925) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione
PubChem CID586925
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione
SMILESCc1ccc(-n2[nH]c(=O)ccc2=O)cc1Cl
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(6-9(7)12)14-11(16)5-4-10(15)13-14/h2-6H,1H3,(H,13,15)
InChIKeyGKFYRVUNLUFMJX-UHFFFAOYSA-N
XLogP1.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione (CID 586925) is 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione is Cc1ccc(-n2[nH]c(=O)ccc2=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione?
The InChIKey is GKFYRVUNLUFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-2-3-8(6-9(7)12)14-11(16)5-4-10(15)13-14/h2-6H,1H3,(H,13,15).
What are the key properties of 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione?
2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione has a molecular weight of 236.66 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 586925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).