2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one

C12H11FN2O2 — CID 82105419

IUPAC2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)c(O)c2)ccc1=O
InChIInChI=1S/C12H11FN2O2/c1-2-15-12(17)6-5-10(14-15)8-3-4-9(13)11(16)7-8/h3-7,16H,2H2,1H3
InChIKeySZEYWAOHQNUJNV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.77
Rot. Bonds2

About 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one

2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one (PubChem CID 82105419) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
PubChem CID82105419
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)c(O)c2)ccc1=O
InChIInChI=1S/C12H11FN2O2/c1-2-15-12(17)6-5-10(14-15)8-3-4-9(13)11(16)7-8/h3-7,16H,2H2,1H3
InChIKeySZEYWAOHQNUJNV-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
4-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105450
6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105416
3-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105447
6-(3-amino-4-pyrrolidin-1-ylphenyl)-2-ethylpyridazin-3-one
CID 82105386
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
CID 46950501
6-(3-hydroxyphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 19044185
2-[3-(3-acetamido-4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 27261551
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]cyclohexanecarboxamide
CID 46959330
N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 25249906
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(1H-indol-3-yl)acetamide
CID 16671446

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one (CID 82105419) is 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one is CCn1nc(-c2ccc(F)c(O)c2)ccc1=O.
What is the InChIKey of 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one?
The InChIKey is SZEYWAOHQNUJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-15-12(17)6-5-10(14-15)8-3-4-9(13)11(16)7-8/h3-7,16H,2H2,1H3.
What are the key properties of 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one?
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82105419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).