2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one

C11H10F3N3O2 — CID 160555037

IUPAC2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one
SMILESCOc1cccc(C(F)(F)F)n1.O=c1cccn[nH]1
InChIInChI=1S/C7H6F3NO.C4H4N2O/c1-12-6-4-2-3-5(11-6)7(8,9)10;7-4-2-1-3-5-6-4/h2-4H,1H3;1-3H,(H,6,7)
InChIKeyQYOLBHRFFDRQIX-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.88
Rot. Bonds1

About 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one

2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one (PubChem CID 160555037) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one.

Molecular Properties

Compound Name2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one
PubChem CID160555037
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one
SMILESCOc1cccc(C(F)(F)F)n1.O=c1cccn[nH]1
InChIInChI=1S/C7H6F3NO.C4H4N2O/c1-12-6-4-2-3-5(11-6)7(8,9)10;7-4-2-1-3-5-6-4/h2-4H,1H3;1-3H,(H,6,7)
InChIKeyQYOLBHRFFDRQIX-UHFFFAOYSA-N
XLogP1.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one?
The IUPAC name of 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one (CID 160555037) is 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one.
What is the SMILES notation for 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one?
The canonical SMILES for 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one is COc1cccc(C(F)(F)F)n1.O=c1cccn[nH]1.
What is the InChIKey of 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one?
The InChIKey is QYOLBHRFFDRQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C4H4N2O/c1-12-6-4-2-3-5(11-6)7(8,9)10;7-4-2-1-3-5-6-4/h2-4H,1H3;1-3H,(H,6,7).
What are the key properties of 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one?
2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one has a molecular weight of 273.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(trifluoromethyl)pyridine;1H-pyridazin-6-one is sourced from PubChem (CID 160555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).