2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline

C11H8F3N3O — CID 82000159

IUPAC2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1cccnn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-4-9(8(15)6-7)18-10-2-1-5-16-17-10/h1-6H,15H2
InChIKeyCTYLYIPNSYPTPP-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline

2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline (PubChem CID 82000159) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
PubChem CID82000159
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1cccnn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-3-4-9(8(15)6-7)18-10-2-1-5-16-17-10/h1-6H,15H2
InChIKeyCTYLYIPNSYPTPP-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline?
The IUPAC name of 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline (CID 82000159) is 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1Oc1cccnn1.
What is the InChIKey of 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline?
The InChIKey is CTYLYIPNSYPTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-3-4-9(8(15)6-7)18-10-2-1-5-16-17-10/h1-6H,15H2.
What are the key properties of 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline?
2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82000159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).