5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H7Cl2FN4O — CID 2790361

IUPAC5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2c(F)cccc2Cl)c1Cl
InChIInChI=1S/C11H7Cl2FN4O/c12-7-2-1-3-8(14)6(7)4-15-17-9-5-16-18-11(19)10(9)13/h1-5H,(H2,17,18,19)
InChIKeyQRZXHRCUUSUMAZ-UHFFFAOYSA-N
MW301.11 g/mol
LogP2.66
Rot. Bonds3

About 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 2790361) has the molecular formula C11H7Cl2FN4O and a molecular weight of 301.11 g/mol. Its IUPAC name is 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID2790361
Molecular FormulaC11H7Cl2FN4O
Molecular Weight301.11 g/mol
Exact Mass300.00
IUPAC Name5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2c(F)cccc2Cl)c1Cl
InChIInChI=1S/C11H7Cl2FN4O/c12-7-2-1-3-8(14)6(7)4-15-17-9-5-16-18-11(19)10(9)13/h1-5H,(H2,17,18,19)
InChIKeyQRZXHRCUUSUMAZ-UHFFFAOYSA-N
XLogP2.66
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 2790361) is 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(NN=Cc2c(F)cccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is QRZXHRCUUSUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN4O/c12-7-2-1-3-8(14)6(7)4-15-17-9-5-16-18-11(19)10(9)13/h1-5H,(H2,17,18,19).
What are the key properties of 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 301.11 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).