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

C12H10Cl2FN3O — CID 114432788

IUPAC4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(Nc2ccc(F)c(Cl)c2)c(Cl)c1=O
InChIInChI=1S/C12H10Cl2FN3O/c1-2-18-12(19)11(14)10(6-16-18)17-7-3-4-9(15)8(13)5-7/h3-6,17H,2H2,1H3
InChIKeyLFVAVBNRLOHXJZ-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.45
Rot. Bonds3

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

4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one (PubChem CID 114432788) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one
PubChem CID114432788
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(Nc2ccc(F)c(Cl)c2)c(Cl)c1=O
InChIInChI=1S/C12H10Cl2FN3O/c1-2-18-12(19)11(14)10(6-16-18)17-7-3-4-9(15)8(13)5-7/h3-6,17H,2H2,1H3
InChIKeyLFVAVBNRLOHXJZ-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one (CID 114432788) is 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one is CCn1ncc(Nc2ccc(F)c(Cl)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one?
The InChIKey is LFVAVBNRLOHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-2-18-12(19)11(14)10(6-16-18)17-7-3-4-9(15)8(13)5-7/h3-6,17H,2H2,1H3.
What are the key properties of 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one?
4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one has a molecular weight of 302.14 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-4-fluoroanilino)-2-ethylpyridazin-3-one is sourced from PubChem (CID 114432788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).