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

C19H16ClFN2O3 — CID 7671894

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1
InChIInChI=1S/C19H16ClFN2O3/c1-25-12-6-8-18(26-2)13(10-12)17-7-9-19(24)23(22-17)11-14-15(20)4-3-5-16(14)21/h3-10H,11H2,1-2H3
InChIKeyIMGISULOKXFXFC-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.77
Rot. Bonds5

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

2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one (PubChem CID 7671894) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
PubChem CID7671894
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1
InChIInChI=1S/C19H16ClFN2O3/c1-25-12-6-8-18(26-2)13(10-12)17-7-9-19(24)23(22-17)11-14-15(20)4-3-5-16(14)21/h3-10H,11H2,1-2H3
InChIKeyIMGISULOKXFXFC-UHFFFAOYSA-N
XLogP3.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7671868
2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
CID 170317514
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole
CID 67021489
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one (CID 7671894) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one is COc1ccc(OC)c(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)c1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is IMGISULOKXFXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-25-12-6-8-18(26-2)13(10-12)17-7-9-19(24)23(22-17)11-14-15(20)4-3-5-16(14)21/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 374.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7671894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).