3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one

C12H6ClFN2O2 — CID 106521848

IUPAC3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cl)cc1-c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H6ClFN2O2/c13-11-5-8(12(17)16-15-11)10-4-6-3-7(14)1-2-9(6)18-10/h1-5H,(H,16,17)
InChIKeyIHMRAQCOHDYQII-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.98
Rot. Bonds1

About 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one

3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one (PubChem CID 106521848) has the molecular formula C12H6ClFN2O2 and a molecular weight of 264.64 g/mol. Its IUPAC name is 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
PubChem CID106521848
Molecular FormulaC12H6ClFN2O2
Molecular Weight264.64 g/mol
Exact Mass264.01
IUPAC Name3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(Cl)cc1-c1cc2cc(F)ccc2o1
InChIInChI=1S/C12H6ClFN2O2/c13-11-5-8(12(17)16-15-11)10-4-6-3-7(14)1-2-9(6)18-10/h1-5H,(H,16,17)
InChIKeyIHMRAQCOHDYQII-UHFFFAOYSA-N
XLogP2.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770178
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
CID 106516982
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
CID 114733240
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one (CID 106521848) is 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one is O=c1[nH]nc(Cl)cc1-c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one?
The InChIKey is IHMRAQCOHDYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O2/c13-11-5-8(12(17)16-15-11)10-4-6-3-7(14)1-2-9(6)18-10/h1-5H,(H,16,17).
What are the key properties of 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one?
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one has a molecular weight of 264.64 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 106521848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).