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

C11H7Cl2FN2O — CID 675202

IUPAC4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H7Cl2FN2O/c12-9-5-15-16(11(17)10(9)13)6-7-1-3-8(14)4-2-7/h1-5H,6H2
InChIKeyLLNJUQCJFCJEPC-UHFFFAOYSA-N
MW273.09 g/mol
LogP2.74
Rot. Bonds2

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

4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 675202) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID675202
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H7Cl2FN2O/c12-9-5-15-16(11(17)10(9)13)6-7-1-3-8(14)4-2-7/h1-5H,6H2
InChIKeyLLNJUQCJFCJEPC-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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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 675202) is 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1ccc(F)cc1.
What is the InChIKey of 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is LLNJUQCJFCJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-9-5-15-16(11(17)10(9)13)6-7-1-3-8(14)4-2-7/h1-5H,6H2.
What are the key properties of 4,5-dichloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(4-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-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 675202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).