4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one

C10H5Cl2N3O3 — CID 101357762

IUPAC4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
SMILESO=c1c(Cl)cc(Cl)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H5Cl2N3O3/c11-6-5-9(12)13-14(10(6)16)7-3-1-2-4-8(7)15(17)18/h1-5H
InChIKeyAZODSPHNUGFLRH-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.45
Rot. Bonds2

About 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one

4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one (PubChem CID 101357762) has the molecular formula C10H5Cl2N3O3 and a molecular weight of 286.07 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
PubChem CID101357762
Molecular FormulaC10H5Cl2N3O3
Molecular Weight286.07 g/mol
Exact Mass284.97
IUPAC Name4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
SMILESO=c1c(Cl)cc(Cl)nn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H5Cl2N3O3/c11-6-5-9(12)13-14(10(6)16)7-3-1-2-4-8(7)15(17)18/h1-5H
InChIKeyAZODSPHNUGFLRH-UHFFFAOYSA-N
XLogP2.45
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
4-chloro-2-(2-nitrophenyl)benzotriazole
CID 174500112
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647
2-(4-chloro-2-nitrophenyl)-4-phenylphthalazin-1-one
CID 69162344
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
5-[2-(2-chlorophenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 46426215
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
CID 82916010
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile
CID 63790371
(1S,2S,6S,7S)-1,7,8,9,10,10-hexachloro-4-(2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98120088
(1S,2R,6R,7S)-1,7,8,9,10,10-hexachloro-4-(2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98120090
N-[1-(3,4-dichlorophenyl)ethyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55372886
2-(2-chloro-5-nitrophenyl)-4-methylphthalazin-1-one
CID 22295506

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one?
The IUPAC name of 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one (CID 101357762) is 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one is O=c1c(Cl)cc(Cl)nn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one?
The InChIKey is AZODSPHNUGFLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O3/c11-6-5-9(12)13-14(10(6)16)7-3-1-2-4-8(7)15(17)18/h1-5H.
What are the key properties of 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one?
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one has a molecular weight of 286.07 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 101357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).