4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one

C11H9ClFN3O — CID 164618404

IUPAC4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one
SMILESCn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C11H9ClFN3O/c1-16-11(17)10(12)9(6-14-16)15-8-4-2-7(13)3-5-8/h2-6,15H,1H3
InChIKeyZMOKGCAFEOMLSC-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.32
Rot. Bonds2

About 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one

4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one (PubChem CID 164618404) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one
PubChem CID164618404
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one
SMILESCn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C11H9ClFN3O/c1-16-11(17)10(12)9(6-14-16)15-8-4-2-7(13)3-5-8/h2-6,15H,1H3
InChIKeyZMOKGCAFEOMLSC-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one (CID 164618404) is 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one is Cn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one?
The InChIKey is ZMOKGCAFEOMLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-11(17)10(12)9(6-14-16)15-8-4-2-7(13)3-5-8/h2-6,15H,1H3.
What are the key properties of 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one?
4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one has a molecular weight of 253.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluoroanilino)-2-methylpyridazin-3-one is sourced from PubChem (CID 164618404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).