3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine

C13H9BrClFN2O — CID 175085388

IUPAC3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine
SMILESC=C(c1ccc(OC)nn1)c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7(12-3-4-13(19-2)18-17-12)8-5-9(14)11(16)6-10(8)15/h3-6H,1H2,2H3
InChIKeyWUFCHMUBRGEUQC-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.10
Rot. Bonds3

About 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine

3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine (PubChem CID 175085388) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine
PubChem CID175085388
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine
SMILESC=C(c1ccc(OC)nn1)c1cc(Br)c(F)cc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7(12-3-4-13(19-2)18-17-12)8-5-9(14)11(16)6-10(8)15/h3-6H,1H2,2H3
InChIKeyWUFCHMUBRGEUQC-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine?
The IUPAC name of 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine (CID 175085388) is 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine?
The canonical SMILES for 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine is C=C(c1ccc(OC)nn1)c1cc(Br)c(F)cc1Cl.
What is the InChIKey of 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine?
The InChIKey is WUFCHMUBRGEUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7(12-3-4-13(19-2)18-17-12)8-5-9(14)11(16)6-10(8)15/h3-6H,1H2,2H3.
What are the key properties of 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine?
3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine has a molecular weight of 343.58 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine is sourced from PubChem (CID 175085388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).