2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol

C12H9F3N2O3 — CID 137150764

IUPAC2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol
SMILESCOc1ccc(-c2cc(OC(F)(F)F)ccc2O)nn1
InChIInChI=1S/C12H9F3N2O3/c1-19-11-5-3-9(16-17-11)8-6-7(2-4-10(8)18)20-12(13,14)15/h2-6,18H,1H3
InChIKeyBIIBYSIWSDZVPH-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.76
Rot. Bonds3

About 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol

2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol (PubChem CID 137150764) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol
PubChem CID137150764
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol
SMILESCOc1ccc(-c2cc(OC(F)(F)F)ccc2O)nn1
InChIInChI=1S/C12H9F3N2O3/c1-19-11-5-3-9(16-17-11)8-6-7(2-4-10(8)18)20-12(13,14)15/h2-6,18H,1H3
InChIKeyBIIBYSIWSDZVPH-UHFFFAOYSA-N
XLogP2.76
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol (CID 137150764) is 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol is COc1ccc(-c2cc(OC(F)(F)F)ccc2O)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol?
The InChIKey is BIIBYSIWSDZVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-19-11-5-3-9(16-17-11)8-6-7(2-4-10(8)18)20-12(13,14)15/h2-6,18H,1H3.
What are the key properties of 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol?
2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol has a molecular weight of 286.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 137150764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).