5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one

C14H11Cl3FN3O2 — CID 133292436

IUPAC5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c1Cl
InChIInChI=1S/C14H11Cl3FN3O2/c15-8-4-9(16)10(18)3-7(8)12-6-21(1-2-23-12)11-5-19-20-14(22)13(11)17/h3-5,12H,1-2,6H2,(H,20,22)
InChIKeyFOCGUDPYXTXMCC-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.45
Rot. Bonds2

About 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one

5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one (PubChem CID 133292436) has the molecular formula C14H11Cl3FN3O2 and a molecular weight of 378.62 g/mol. Its IUPAC name is 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
PubChem CID133292436
Molecular FormulaC14H11Cl3FN3O2
Molecular Weight378.62 g/mol
Exact Mass376.99
IUPAC Name5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c1Cl
InChIInChI=1S/C14H11Cl3FN3O2/c15-8-4-9(16)10(18)3-7(8)12-6-21(1-2-23-12)11-5-19-20-14(22)13(11)17/h3-5,12H,1-2,6H2,(H,20,22)
InChIKeyFOCGUDPYXTXMCC-UHFFFAOYSA-N
XLogP3.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[2-(4-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
CID 45817794
5-chloro-4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
CID 93614717
5-chloro-4-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
CID 93614718
5-chloro-4-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1H-pyridazin-6-one
CID 122139691
4-Bromo-5-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
CID 132473436
4-Bromo-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
CID 132473618
4-Chloro-5-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-methylpyridazin-3-one
CID 133292422
5-chloro-4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1H-pyridazin-6-one
CID 133330352
5-chloro-4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-1H-pyridazin-6-one
CID 133449840
5-chloro-4-(2-methyl-6-phenylmorpholin-4-yl)-1H-pyridazin-6-one
CID 47983380
5-chloro-4-[2-[(2,4-dichlorophenyl)methoxy]ethylamino]-1H-pyridazin-6-one
CID 75472133
3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 87042007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one (CID 133292436) is 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one?
The InChIKey is FOCGUDPYXTXMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN3O2/c15-8-4-9(16)10(18)3-7(8)12-6-21(1-2-23-12)11-5-19-20-14(22)13(11)17/h3-5,12H,1-2,6H2,(H,20,22).
What are the key properties of 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one?
5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one has a molecular weight of 378.62 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 133292436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).