1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde

C11H7FN2O3 — CID 82421819

IUPAC1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
SMILESO=Cc1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-11(17)5-10(16)9(6-15)13-14/h1-6,16H
InChIKeyMLSCLCQHHHDCAD-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.89
Rot. Bonds2

About 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde

1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde (PubChem CID 82421819) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
PubChem CID82421819
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
SMILESO=Cc1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-11(17)5-10(16)9(6-15)13-14/h1-6,16H
InChIKeyMLSCLCQHHHDCAD-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420645
4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbaldehyde
CID 82421723
1-(2,6-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
CID 82420214
2-(4-fluorophenyl)-6-(hydroxymethyl)-5-methylpyridazin-3-one
CID 118914991
(E)-3-[4-hydroxy-6-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]prop-2-enoic acid
CID 82421391
1-(4-fluorophenyl)-4-hydroxy-5-methylpyridin-2-one
CID 123859492
6-(aminomethyl)-2-(3-fluorophenyl)-5-hydroxypyridazin-3-one
CID 82421930
5-hydroxy-6-(sulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 82421448
5-chloro-1-(4-fluorophenyl)pyrazolo[4,5-b]pyrazine-6-carbaldehyde
CID 166676648
4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]benzoic acid
CID 67103939
2-[1-(3,4-difluorophenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetonitrile
CID 82420912
ethyl 1-(4-fluorophenyl)-4-(methylamino)-6-oxopyridazine-3-carboxylate
CID 16801951

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde (CID 82421819) is 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde is O=Cc1nn(-c2ccc(F)cc2)c(=O)cc1O.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The InChIKey is MLSCLCQHHHDCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-1-3-8(4-2-7)14-11(17)5-10(16)9(6-15)13-14/h1-6,16H.
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde has a molecular weight of 234.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82421819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).