2-pyridazin-4-yl-4-(trifluoromethyl)phenol

C11H7F3N2O — CID 135741697

IUPAC2-pyridazin-4-yl-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-1-2-10(17)9(5-8)7-3-4-15-16-6-7/h1-6,17H
InChIKeyJZWVBCZDXFAOOV-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.87
Rot. Bonds1

About 2-pyridazin-4-yl-4-(trifluoromethyl)phenol

2-pyridazin-4-yl-4-(trifluoromethyl)phenol (PubChem CID 135741697) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-pyridazin-4-yl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-pyridazin-4-yl-4-(trifluoromethyl)phenol
PubChem CID135741697
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2-pyridazin-4-yl-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-1-2-10(17)9(5-8)7-3-4-15-16-6-7/h1-6,17H
InChIKeyJZWVBCZDXFAOOV-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-4-(trifluoromethyl)phenol?
The IUPAC name of 2-pyridazin-4-yl-4-(trifluoromethyl)phenol (CID 135741697) is 2-pyridazin-4-yl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-pyridazin-4-yl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-pyridazin-4-yl-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-c1ccnnc1.
What is the InChIKey of 2-pyridazin-4-yl-4-(trifluoromethyl)phenol?
The InChIKey is JZWVBCZDXFAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-1-2-10(17)9(5-8)7-3-4-15-16-6-7/h1-6,17H.
What are the key properties of 2-pyridazin-4-yl-4-(trifluoromethyl)phenol?
2-pyridazin-4-yl-4-(trifluoromethyl)phenol has a molecular weight of 240.18 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 135741697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).