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

C11H8ClFN2O2 — CID 106520555

IUPAC3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cccc(-c2cc(Cl)n[nH]c2=O)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-17-8-4-2-3-6(10(8)13)7-5-9(12)14-15-11(7)16/h2-5H,1H3,(H,15,16)
InChIKeyJIHSBLJLWGWTQE-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.24
Rot. Bonds2

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

3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 106520555) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID106520555
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cccc(-c2cc(Cl)n[nH]c2=O)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-17-8-4-2-3-6(10(8)13)7-5-9(12)14-15-11(7)16/h2-5H,1H3,(H,15,16)
InChIKeyJIHSBLJLWGWTQE-UHFFFAOYSA-N
XLogP2.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520541
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769851
3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
CID 106516982
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one (CID 106520555) is 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one is COc1cccc(-c2cc(Cl)n[nH]c2=O)c1F.
What is the InChIKey of 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is JIHSBLJLWGWTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-8-4-2-3-6(10(8)13)7-5-9(12)14-15-11(7)16/h2-5H,1H3,(H,15,16).
What are the key properties of 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one?
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 254.65 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106520555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).