3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one

C19H19Cl2N3O2 — CID 175803457

IUPAC3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(C3C=CC=CN3C)cc2Cl)n[nH]c1=O
InChIInChI=1S/C19H19Cl2N3O2/c1-11(2)13-10-17(22-23-19(13)25)26-18-14(20)8-12(9-15(18)21)16-6-4-5-7-24(16)3/h4-11,16H,1-3H3,(H,23,25)
InChIKeyWWGCSKPOYMVBOF-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.05
Rot. Bonds4

About 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one

3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one (PubChem CID 175803457) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
PubChem CID175803457
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(C3C=CC=CN3C)cc2Cl)n[nH]c1=O
InChIInChI=1S/C19H19Cl2N3O2/c1-11(2)13-10-17(22-23-19(13)25)26-18-14(20)8-12(9-15(18)21)16-6-4-5-7-24(16)3/h4-11,16H,1-3H3,(H,23,25)
InChIKeyWWGCSKPOYMVBOF-UHFFFAOYSA-N
XLogP5.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 141161888
[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]boronic acid
CID 155637453
5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
CID 146402576
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetic acid
CID 15981207
3-[2,6-dichloro-4-(5,6-dimethoxy-3-pyridinyl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
CID 167126243
3-(4-amino-2-chloro-6-hydroxyphenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 177323780
1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
CID 175418628
2-[2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-3-oxo-1,2,4-triazin-6-yl]acetonitrile
CID 159467590
2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]butanedioic acid
CID 91399578
3-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]butanoic acid
CID 155296007
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 15981237
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-6-(hydroxymethylidene)-1,2,4-triazinane-3,5-dione
CID 164606551

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one (CID 175803457) is 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(Oc2c(Cl)cc(C3C=CC=CN3C)cc2Cl)n[nH]c1=O.
What is the InChIKey of 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is WWGCSKPOYMVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11(2)13-10-17(22-23-19(13)25)26-18-14(20)8-12(9-15(18)21)16-6-4-5-7-24(16)3/h4-11,16H,1-3H3,(H,23,25).
What are the key properties of 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one?
3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 392.29 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 175803457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).