1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol

C14H14FN3O — CID 56770273

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)13-5-6-14(17-16-13)18-8-7-12(19)9-18/h1-6,12,19H,7-9H2
InChIKeyITSVRVZCNMOAOY-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.85
Rot. Bonds2

About 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol

1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 56770273) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID56770273
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)13-5-6-14(17-16-13)18-8-7-12(19)9-18/h1-6,12,19H,7-9H2
InChIKeyITSVRVZCNMOAOY-UHFFFAOYSA-N
XLogP1.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770770
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
1-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 116972898
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757
3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
CID 133278346
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384643
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol (CID 56770273) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol is OC1CCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is ITSVRVZCNMOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)13-5-6-14(17-16-13)18-8-7-12(19)9-18/h1-6,12,19H,7-9H2.
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol?
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 259.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56770273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).