4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

C13H9Cl2FN2O3 — CID 7544095

IUPAC4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C13H9Cl2FN2O3/c1-21-11-3-2-7(4-9(11)16)10(19)6-18-13(20)12(15)8(14)5-17-18/h2-5H,6H2,1H3
InChIKeyFOAFTNVKLIIOGF-UHFFFAOYSA-N
MW331.13 g/mol
LogP2.58
Rot. Bonds4

About 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 7544095) has the molecular formula C13H9Cl2FN2O3 and a molecular weight of 331.13 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID7544095
Molecular FormulaC13H9Cl2FN2O3
Molecular Weight331.13 g/mol
Exact Mass330.00
IUPAC Name4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C13H9Cl2FN2O3/c1-21-11-3-2-7(4-9(11)16)10(19)6-18-13(20)12(15)8(14)5-17-18/h2-5H,6H2,1H3
InChIKeyFOAFTNVKLIIOGF-UHFFFAOYSA-N
XLogP2.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]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-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9492249
4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]benzonitrile
CID 166162775
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate
CID 1474462
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (CID 7544095) is 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is COc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1F.
What is the InChIKey of 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is FOAFTNVKLIIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3/c1-21-11-3-2-7(4-9(11)16)10(19)6-18-13(20)12(15)8(14)5-17-18/h2-5H,6H2,1H3.
What are the key properties of 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 331.13 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 7544095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).