4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine

C11H7F3N2O — CID 87198587

IUPAC4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine
SMILESCOc1c(-c2ccnnc2)cc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O/c1-17-11-7(6-2-3-15-16-5-6)4-8(12)9(13)10(11)14/h2-5H,1H3
InChIKeyINMGYLDKPYBBIY-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.57
Rot. Bonds2

About 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine

4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine (PubChem CID 87198587) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine
PubChem CID87198587
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine
SMILESCOc1c(-c2ccnnc2)cc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O/c1-17-11-7(6-2-3-15-16-5-6)4-8(12)9(13)10(11)14/h2-5H,1H3
InChIKeyINMGYLDKPYBBIY-UHFFFAOYSA-N
XLogP2.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine?
The IUPAC name of 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine (CID 87198587) is 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine.
What is the SMILES notation for 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine?
The canonical SMILES for 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine is COc1c(-c2ccnnc2)cc(F)c(F)c1F.
What is the InChIKey of 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine?
The InChIKey is INMGYLDKPYBBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c1-17-11-7(6-2-3-15-16-5-6)4-8(12)9(13)10(11)14/h2-5H,1H3.
What are the key properties of 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine?
4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine has a molecular weight of 240.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trifluoro-2-methoxyphenyl)pyridazine is sourced from PubChem (CID 87198587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).