4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one

C11H8F2N2O — CID 141369633

IUPAC4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)cn[nH]1
InChIInChI=1S/C11H8F2N2O/c12-9-2-1-3-10(13)8(9)4-7-5-11(16)15-14-6-7/h1-3,5-6H,4H2,(H,15,16)
InChIKeyLWQFNKJMLFJRST-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.64
Rot. Bonds2

About 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one

4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one (PubChem CID 141369633) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one
PubChem CID141369633
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)cn[nH]1
InChIInChI=1S/C11H8F2N2O/c12-9-2-1-3-10(13)8(9)4-7-5-11(16)15-14-6-7/h1-3,5-6H,4H2,(H,15,16)
InChIKeyLWQFNKJMLFJRST-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one (CID 141369633) is 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one is O=c1cc(Cc2c(F)cccc2F)cn[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is LWQFNKJMLFJRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-9-2-1-3-10(13)8(9)4-7-5-11(16)15-14-6-7/h1-3,5-6H,4H2,(H,15,16).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one?
4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 222.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 141369633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).