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

C12H9Cl2FN2O2 — CID 2512232

IUPAC4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C12H9Cl2FN2O2/c1-19-10-3-2-7(4-9(10)15)6-17-12(18)11(14)8(13)5-16-17/h2-5H,6H2,1H3
InChIKeyUMYQEDPVQNEFNY-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.75
Rot. Bonds3

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

4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 2512232) has the molecular formula C12H9Cl2FN2O2 and a molecular weight of 303.12 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID2512232
Molecular FormulaC12H9Cl2FN2O2
Molecular Weight303.12 g/mol
Exact Mass302.00
IUPAC Name4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1F
InChIInChI=1S/C12H9Cl2FN2O2/c1-19-10-3-2-7(4-9(10)15)6-17-12(18)11(14)8(13)5-16-17/h2-5H,6H2,1H3
InChIKeyUMYQEDPVQNEFNY-UHFFFAOYSA-N
XLogP2.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 4961984
1-(4-methoxybenzyl)-3,5-dichloropyrazine-2(1H)-one
CID 15498463
4,5-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridazin-3-one
CID 44227025
2-{[4-(Trifluoromethoxy)phenyl]methyl}-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-3-one
CID 75465584
3,5-Dichloro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 11120090
3(2H)-Pyridazinone, 4,5-dichloro-2-(4-methoxybenzoyl)-
CID 3025884
4-Chloro-5-[(4-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45806305
2-(3-fluorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 7660038
2-Benzyl-4-chloro-5-phenoxypyridazin-3-one
CID 2518397
4,5-dichloro-2-(3-methoxybenzyl)pyridazin-3(2H)-one
CID 8862387
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 2560599
5-chloro-4-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1H-pyridazin-6-one
CID 18095631

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one (CID 2512232) is 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1F.
What is the InChIKey of 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is UMYQEDPVQNEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2/c1-19-10-3-2-7(4-9(10)15)6-17-12(18)11(14)8(13)5-16-17/h2-5H,6H2,1H3.
What are the key properties of 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 303.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 2512232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).