6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one

C14H15FN2O2 — CID 173233280

IUPAC6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1cc(=O)n(C(C)C)nc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-13(18)8-12(19-3)14(16-17)10-5-4-6-11(15)7-10/h4-9H,1-3H3
InChIKeyYNZJJGQZHUXQFD-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one

6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one (PubChem CID 173233280) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one
PubChem CID173233280
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1cc(=O)n(C(C)C)nc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-9(2)17-13(18)8-12(19-3)14(16-17)10-5-4-6-11(15)7-10/h4-9H,1-3H3
InChIKeyYNZJJGQZHUXQFD-UHFFFAOYSA-N
XLogP2.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-6-(2-fluorophenyl)pyridazin-3-one
CID 53570582
6-Benzyl-5-methoxy-2-methylpyridazin-3-one
CID 145951657
6-(3-Fluorophenyl)-5-methoxy-2-methylpyridazin-3-one
CID 173232944
3-(3-fluorophenyl)-4-methoxy-1H-pyridazin-6-one
CID 173233297
2-(2-Cyclopropylethyl)-6-(4-fluorophenyl)-5-hydroxypyridazin-3-one
CID 174586913
5-(2,2-Difluorobutoxy)-6-phenyl-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 178841572
5-(2,2-Difluoropropoxy)-6-phenyl-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 178841680
5-Hydroxy-2-methyl-6-phenylpyridazin-3-one
CID 54705880
2-ethyl-6-(4-fluorophenyl)pyridazin-3(2H)-one
CID 7664363
6-(2-Fluorophenyl)-2-(3-methoxypropyl)pyridazin-3-one
CID 75456583
4-Deuterio-2-(1,1-dideuteriopropan-2-yl)-5-(1-ethoxyethenyl)-6-phenylpyridazin-3-one
CID 118937994
5-(1-Ethoxyethenyl)-6-phenyl-2-propan-2-ylpyridazin-3-one
CID 118938049

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one (CID 173233280) is 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one is COc1cc(=O)n(C(C)C)nc1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is YNZJJGQZHUXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)17-13(18)8-12(19-3)14(16-17)10-5-4-6-11(15)7-10/h4-9H,1-3H3.
What are the key properties of 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one?
6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 262.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methoxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 173233280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).