2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one

C11H9ClFN3O — CID 82481856

IUPAC2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1
InChIInChI=1S/C11H9ClFN3O/c1-14-7-4-11(17)16(15-6-7)8-2-3-10(13)9(12)5-8/h2-6,14H,1H3
InChIKeyQLQWVJRGSLJBGT-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.07
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one

2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one (PubChem CID 82481856) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one
PubChem CID82481856
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1
InChIInChI=1S/C11H9ClFN3O/c1-14-7-4-11(17)16(15-6-7)8-2-3-10(13)9(12)5-8/h2-6,14H,1H3
InChIKeyQLQWVJRGSLJBGT-UHFFFAOYSA-N
XLogP2.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one (CID 82481856) is 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is QLQWVJRGSLJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-14-7-4-11(17)16(15-6-7)8-2-3-10(13)9(12)5-8/h2-6,14H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one?
2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 253.66 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 82481856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).