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

C11H7Cl2FN2O — CID 2736823

IUPAC4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-8-5-15-16(11(17)10(8)13)6-7-3-1-2-4-9(7)14/h1-5H,6H2
InChIKeyKXXLLZDAGSQFED-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.74
Rot. Bonds2

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

4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 2736823) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
PubChem CID2736823
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccccc1F
InChIInChI=1S/C11H7Cl2FN2O/c12-8-5-15-16(11(17)10(8)13)6-7-3-1-2-4-9(7)14/h1-5H,6H2
InChIKeyKXXLLZDAGSQFED-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 2585171
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
4,5-dichloro-2-[(5-fluoro-2-nitrophenyl)methyl]pyridazin-3-one
CID 47293660
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one
CID 135708799
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-3-methylbenzonitrile
CID 114485136

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one (CID 2736823) is 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1ccccc1F.
What is the InChIKey of 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is KXXLLZDAGSQFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-8-5-15-16(11(17)10(8)13)6-7-3-1-2-4-9(7)14/h1-5H,6H2.
What are the key properties of 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 273.09 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 2736823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).