4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one

C18H14ClFN4O2 — CID 110512640

IUPAC4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cccc(F)c3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-15-7-5-14(6-8-15)24-18(25)17(19)16(11-22-24)23-21-10-12-3-2-4-13(20)9-12/h2-11,23H,1H3/b21-10-
InChIKeyBUASOFNDCRZACB-FBHDLOMBSA-N
MW372.79 g/mol
LogP3.48
Rot. Bonds5

About 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one

4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 110512640) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
PubChem CID110512640
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cccc(F)c3)c(Cl)c2=O)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-15-7-5-14(6-8-15)24-18(25)17(19)16(11-22-24)23-21-10-12-3-2-4-13(20)9-12/h2-11,23H,1H3/b21-10-
InChIKeyBUASOFNDCRZACB-FBHDLOMBSA-N
XLogP3.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one (CID 110512640) is 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-n2ncc(N/N=C\c3cccc(F)c3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is BUASOFNDCRZACB-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-15-7-5-14(6-8-15)24-18(25)17(19)16(11-22-24)23-21-10-12-3-2-4-13(20)9-12/h2-11,23H,1H3/b21-10-.
What are the key properties of 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one?
4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 372.79 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 110512640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).