4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one

C11H6Cl2FN3O3 — CID 47293660

IUPAC4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2FN3O3/c12-8-4-15-16(11(18)10(8)13)5-6-3-7(14)1-2-9(6)17(19)20/h1-4H,5H2
InChIKeyAZNAUVZEZZQIDN-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.65
Rot. Bonds3

About 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one

4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one (PubChem CID 47293660) has the molecular formula C11H6Cl2FN3O3 and a molecular weight of 318.09 g/mol. Its IUPAC name is 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one
PubChem CID47293660
Molecular FormulaC11H6Cl2FN3O3
Molecular Weight318.09 g/mol
Exact Mass316.98
IUPAC Name4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H6Cl2FN3O3/c12-8-4-15-16(11(18)10(8)13)5-6-3-7(14)1-2-9(6)17(19)20/h1-4H,5H2
InChIKeyAZNAUVZEZZQIDN-UHFFFAOYSA-N
XLogP2.65
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.65
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'}

Analyze 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
5-amino-6-chloro-3-[(5-fluoro-2-nitrophenyl)methyl]pyrimidin-4-one
CID 114582530
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62732140
2-(3-chloropropyl)-4-fluoro-1-nitrobenzene
CID 118818885
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
N-ethyl-1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62731244
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-6-nitroaniline
CID 107351940
2-[1-[(5-fluoro-2-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 62402055
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate
CID 1474462

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one (CID 47293660) is 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one?
The InChIKey is AZNAUVZEZZQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O3/c12-8-4-15-16(11(18)10(8)13)5-6-3-7(14)1-2-9(6)17(19)20/h1-4H,5H2.
What are the key properties of 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one has a molecular weight of 318.09 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 47293660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).