3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one

C12H10F2N2O3 — CID 5723

IUPAC3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one
SMILESCOc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F
InChIInChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
InChIKeyHJMQDJPMQIHLPB-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.05
Rot. Bonds4

About 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one

3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one (PubChem CID 5723) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one
PubChem CID5723
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one
SMILESCOc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F
InChIInChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
InChIKeyHJMQDJPMQIHLPB-UHFFFAOYSA-N
XLogP2.05
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one (CID 5723) is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one is COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F.
What is the InChIKey of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one?
The InChIKey is HJMQDJPMQIHLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17).
What are the key properties of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one?
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one has a molecular weight of 268.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 5723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).