5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride

C15H13Cl3FN3O2 — CID 59231692

IUPAC5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride
SMILESCC(Oc1cc(C(=O)Cl)nnc1N(C)C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H13Cl3FN3O2/c1-7(12-8(16)4-5-9(19)13(12)17)24-11-6-10(14(18)23)20-21-15(11)22(2)3/h4-7H,1-3H3
InChIKeyDIZSFSSTSCCWCJ-UHFFFAOYSA-N
MW392.65 g/mol
LogP4.51
Rot. Bonds5

About 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride

5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride (PubChem CID 59231692) has the molecular formula C15H13Cl3FN3O2 and a molecular weight of 392.65 g/mol. Its IUPAC name is 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride
PubChem CID59231692
Molecular FormulaC15H13Cl3FN3O2
Molecular Weight392.65 g/mol
Exact Mass391.01
IUPAC Name5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride
SMILESCC(Oc1cc(C(=O)Cl)nnc1N(C)C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H13Cl3FN3O2/c1-7(12-8(16)4-5-9(19)13(12)17)24-11-6-10(14(18)23)20-21-15(11)22(2)3/h4-7H,1-3H3
InChIKeyDIZSFSSTSCCWCJ-UHFFFAOYSA-N
XLogP4.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride?
The IUPAC name of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride (CID 59231692) is 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride.
What is the SMILES notation for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride?
The canonical SMILES for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride is CC(Oc1cc(C(=O)Cl)nnc1N(C)C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride?
The InChIKey is DIZSFSSTSCCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN3O2/c1-7(12-8(16)4-5-9(19)13(12)17)24-11-6-10(14(18)23)20-21-15(11)22(2)3/h4-7H,1-3H3.
What are the key properties of 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride?
5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride has a molecular weight of 392.65 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(dimethylamino)pyridazine-3-carbonyl chloride is sourced from PubChem (CID 59231692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).