2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one

C12H10ClFN2O3 — CID 70611352

IUPAC2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1OC
InChIInChI=1S/C12H10ClFN2O3/c1-18-10-6-15-16(12(17)11(10)19-2)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3
InChIKeyKQELYZLUVAXYAW-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one

2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one (PubChem CID 70611352) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one
PubChem CID70611352
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one
SMILESCOc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1OC
InChIInChI=1S/C12H10ClFN2O3/c1-18-10-6-15-16(12(17)11(10)19-2)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3
InChIKeyKQELYZLUVAXYAW-UHFFFAOYSA-N
XLogP2.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one (CID 70611352) is 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one is COc1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1OC.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one?
The InChIKey is KQELYZLUVAXYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-18-10-6-15-16(12(17)11(10)19-2)7-3-4-9(14)8(13)5-7/h3-6H,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one?
2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one has a molecular weight of 284.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4,5-dimethoxypyridazin-3-one is sourced from PubChem (CID 70611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).