1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol

C7H8F2N2O3 — CID 164798695

IUPAC1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol
SMILESOCC(O)c1ccc(OC(F)F)nn1
InChIInChI=1S/C7H8F2N2O3/c8-7(9)14-6-2-1-4(10-11-6)5(13)3-12/h1-2,5,7,12-13H,3H2
InChIKeyPOHLYDGVMUKIHH-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.10
Rot. Bonds4

About 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol

1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol (PubChem CID 164798695) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol
PubChem CID164798695
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol
SMILESOCC(O)c1ccc(OC(F)F)nn1
InChIInChI=1S/C7H8F2N2O3/c8-7(9)14-6-2-1-4(10-11-6)5(13)3-12/h1-2,5,7,12-13H,3H2
InChIKeyPOHLYDGVMUKIHH-UHFFFAOYSA-N
XLogP0.10
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol?
The IUPAC name of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol (CID 164798695) is 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol?
The canonical SMILES for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol is OCC(O)c1ccc(OC(F)F)nn1.
What is the InChIKey of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol?
The InChIKey is POHLYDGVMUKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-7(9)14-6-2-1-4(10-11-6)5(13)3-12/h1-2,5,7,12-13H,3H2.
What are the key properties of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol?
1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol has a molecular weight of 206.15 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethane-1,2-diol is sourced from PubChem (CID 164798695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).