2-(3-chlorophenyl)-1H-pyridazine-3,6-dione

C10H7ClN2O2 — CID 613650

IUPAC2-(3-chlorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-10(15)5-4-9(14)12-13/h1-6H,(H,12,14)
InChIKeyUUAXNJKWPGUQJZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.18
Rot. Bonds1

About 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione

2-(3-chlorophenyl)-1H-pyridazine-3,6-dione (PubChem CID 613650) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1H-pyridazine-3,6-dione
PubChem CID613650
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-(3-chlorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-10(15)5-4-9(14)12-13/h1-6H,(H,12,14)
InChIKeyUUAXNJKWPGUQJZ-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

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Related Compounds

N-(3-Chlorophenyl)acetamide
CID 11493
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
4-Chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione
CID 74334
1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 248003
4,5-dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone
CID 796608
N-(3-chlorophenyl)prop-2-enamide
CID 245968
N-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 940016
1-(3-Chloro-phenyl)-pyrazolidin-3-one
CID 767605
2-(3-Chlorophenyl)-4,5-dimethyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione
CID 49837682
1-(3-Chloro-4-fluorophenyl)-4-(propan-2-ylidene)pyrazolidine-3,5-dione
CID 704173
1-(4-Chlorophenyl)-1,2-dihydro-3H-pyrazol-3-one
CID 11356026
4,5-dichloro-2-(4-chlorophenyl)-6-hydroxy-3(2H)-pyridazinone
CID 2223644

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione (CID 613650) is 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione?
The InChIKey is UUAXNJKWPGUQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-10(15)5-4-9(14)12-13/h1-6H,(H,12,14).
What are the key properties of 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione?
2-(3-chlorophenyl)-1H-pyridazine-3,6-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 2-(3-chlorophenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 613650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).