[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol

C15H19FN3O2+ — CID 163855595

IUPAC[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC=C(N3CCOCC3)[NH2+]N2)c1F
InChIInChI=1S/C15H18FN3O2/c16-15-11(10-20)2-1-3-12(15)13-4-5-14(18-17-13)19-6-8-21-9-7-19/h1-5,17-18,20H,6-10H2/p+1
InChIKeyOXZWRSZWKKNAEY-UHFFFAOYSA-O
MW292.33 g/mol
LogP-0.09
Rot. Bonds3

About [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol

[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol (PubChem CID 163855595) has the molecular formula C15H19FN3O2+ and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol
PubChem CID163855595
Molecular FormulaC15H19FN3O2+
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol
SMILESOCc1cccc(C2=CC=C(N3CCOCC3)[NH2+]N2)c1F
InChIInChI=1S/C15H18FN3O2/c16-15-11(10-20)2-1-3-12(15)13-4-5-14(18-17-13)19-6-8-21-9-7-19/h1-5,17-18,20H,6-10H2/p+1
InChIKeyOXZWRSZWKKNAEY-UHFFFAOYSA-O
XLogP-0.09
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(1Z,3E)-1,4-diamino-4-morpholin-4-ylbuta-1,3-dienyl]-2-fluorophenyl]methanol
CID 129045894
N'-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide
CID 112412410
[2-Fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-3-yl)phenyl]methanol
CID 163855596
2-(6-Morpholin-4-yl-1,2-dihydropyridazin-3-yl)phenol
CID 145481211
N'-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 112412409

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol (CID 163855595) is [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol is OCc1cccc(C2=CC=C(N3CCOCC3)[NH2+]N2)c1F.
What is the InChIKey of [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol?
The InChIKey is OXZWRSZWKKNAEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18FN3O2/c16-15-11(10-20)2-1-3-12(15)13-4-5-14(18-17-13)19-6-8-21-9-7-19/h1-5,17-18,20H,6-10H2/p+1.
What are the key properties of [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol?
[2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol has a molecular weight of 292.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(6-morpholin-4-yl-1,2-dihydropyridazin-1-ium-3-yl)phenyl]methanol is sourced from PubChem (CID 163855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).