4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one

C11H6Cl3FN2O — CID 735798

IUPAC4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H6Cl3FN2O/c12-7-2-1-3-9(15)6(7)5-17-11(18)10(14)8(13)4-16-17/h1-4H,5H2
InChIKeyHBPHPFABRZLERP-UHFFFAOYSA-N
MW307.54 g/mol
LogP3.39
Rot. Bonds2

About 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one

4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 735798) has the molecular formula C11H6Cl3FN2O and a molecular weight of 307.54 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
PubChem CID735798
Molecular FormulaC11H6Cl3FN2O
Molecular Weight307.54 g/mol
Exact Mass305.95
IUPAC Name4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H6Cl3FN2O/c12-7-2-1-3-9(15)6(7)5-17-11(18)10(14)8(13)4-16-17/h1-4H,5H2
InChIKeyHBPHPFABRZLERP-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.54
LogP ≤ 53.39
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-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one (CID 735798) is 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1c(F)cccc1Cl.
What is the InChIKey of 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is HBPHPFABRZLERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FN2O/c12-7-2-1-3-9(15)6(7)5-17-11(18)10(14)8(13)4-16-17/h1-4H,5H2.
What are the key properties of 4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 307.54 g/mol, XLogP of 3.39, 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-chloro-6-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 735798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).