5-chloro-4-methoxy-2-phenylpyridazin-3-one

C11H9ClN2O2 — CID 555185

IUPAC5-chloro-4-methoxy-2-phenylpyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-9(12)7-13-14(11(10)15)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyGRENYEBQTKKRGC-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.89
Rot. Bonds2

About 5-chloro-4-methoxy-2-phenylpyridazin-3-one

5-chloro-4-methoxy-2-phenylpyridazin-3-one (PubChem CID 555185) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-4-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-methoxy-2-phenylpyridazin-3-one
PubChem CID555185
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-4-methoxy-2-phenylpyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-9(12)7-13-14(11(10)15)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyGRENYEBQTKKRGC-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-methoxy-2-phenylpyridazin-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 5-chloro-4-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 5-chloro-4-methoxy-2-phenylpyridazin-3-one (CID 555185) is 5-chloro-4-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-methoxy-2-phenylpyridazin-3-one is COc1c(Cl)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 5-chloro-4-methoxy-2-phenylpyridazin-3-one?
The InChIKey is GRENYEBQTKKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10-9(12)7-13-14(11(10)15)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-chloro-4-methoxy-2-phenylpyridazin-3-one?
5-chloro-4-methoxy-2-phenylpyridazin-3-one has a molecular weight of 236.66 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).