3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

C10H8F2N2O2 — CID 135978725

IUPAC3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(O)c(F)c2F)=NN1
InChIInChI=1S/C10H8F2N2O2/c11-9-5(1-3-7(15)10(9)12)6-2-4-8(16)14-13-6/h1,3,15H,2,4H2,(H,14,16)
InChIKeyILNWDSKXMJQBNV-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.28
Rot. Bonds1

About 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 135978725) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID135978725
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(O)c(F)c2F)=NN1
InChIInChI=1S/C10H8F2N2O2/c11-9-5(1-3-7(15)10(9)12)6-2-4-8(16)14-13-6/h1,3,15H,2,4H2,(H,14,16)
InChIKeyILNWDSKXMJQBNV-UHFFFAOYSA-N
XLogP1.28
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 135978725) is 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(O)c(F)c2F)=NN1.
What is the InChIKey of 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ILNWDSKXMJQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-9-5(1-3-7(15)10(9)12)6-2-4-8(16)14-13-6/h1,3,15H,2,4H2,(H,14,16).
What are the key properties of 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 226.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-hydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 135978725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).