3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine

C12H10ClFN2O — CID 170557790

IUPAC3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine
SMILESCCOc1cc(-c2cccnn2)c(F)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c1-2-17-12-6-8(10(14)7-9(12)13)11-4-3-5-15-16-11/h3-7H,2H2,1H3
InChIKeyLNEXKMMZDUCZKB-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.33
Rot. Bonds3

About 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine

3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine (PubChem CID 170557790) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine
PubChem CID170557790
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine
SMILESCCOc1cc(-c2cccnn2)c(F)cc1Cl
InChIInChI=1S/C12H10ClFN2O/c1-2-17-12-6-8(10(14)7-9(12)13)11-4-3-5-15-16-11/h3-7H,2H2,1H3
InChIKeyLNEXKMMZDUCZKB-UHFFFAOYSA-N
XLogP3.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine?
The IUPAC name of 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine (CID 170557790) is 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine.
What is the SMILES notation for 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine?
The canonical SMILES for 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine is CCOc1cc(-c2cccnn2)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine?
The InChIKey is LNEXKMMZDUCZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-2-17-12-6-8(10(14)7-9(12)13)11-4-3-5-15-16-11/h3-7H,2H2,1H3.
What are the key properties of 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine?
3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine has a molecular weight of 252.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-ethoxy-2-fluorophenyl)pyridazine is sourced from PubChem (CID 170557790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).