4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one

C15H13Cl3FN3O2 — CID 133292422

IUPAC4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c(Cl)c1=O
InChIInChI=1S/C15H13Cl3FN3O2/c1-21-15(23)14(18)12(6-20-21)22-2-3-24-13(7-22)8-4-11(19)10(17)5-9(8)16/h4-6,13H,2-3,7H2,1H3
InChIKeyAFHOZKDSRSQAQF-UHFFFAOYSA-N
MW392.65 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one

4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one (PubChem CID 133292422) has the molecular formula C15H13Cl3FN3O2 and a molecular weight of 392.65 g/mol. Its IUPAC name is 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
PubChem CID133292422
Molecular FormulaC15H13Cl3FN3O2
Molecular Weight392.65 g/mol
Exact Mass391.01
IUPAC Name4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c(Cl)c1=O
InChIInChI=1S/C15H13Cl3FN3O2/c1-21-15(23)14(18)12(6-20-21)22-2-3-24-13(7-22)8-4-11(19)10(17)5-9(8)16/h4-6,13H,2-3,7H2,1H3
InChIKeyAFHOZKDSRSQAQF-UHFFFAOYSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.65
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one (CID 133292422) is 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one?
The InChIKey is AFHOZKDSRSQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN3O2/c1-21-15(23)14(18)12(6-20-21)22-2-3-24-13(7-22)8-4-11(19)10(17)5-9(8)16/h4-6,13H,2-3,7H2,1H3.
What are the key properties of 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one?
4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one has a molecular weight of 392.65 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 133292422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).