1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one

C10H8FN3O2 — CID 91664588

IUPAC1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one
SMILESO=c1ccn(-c2cncc(F)c2)nc1CO
InChIInChI=1S/C10H8FN3O2/c11-7-3-8(5-12-4-7)14-2-1-10(16)9(6-15)13-14/h1-5,15H,6H2
InChIKeyHUEUNWYTZGOPFS-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.26
Rot. Bonds2

About 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one

1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one (PubChem CID 91664588) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one
PubChem CID91664588
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one
SMILESO=c1ccn(-c2cncc(F)c2)nc1CO
InChIInChI=1S/C10H8FN3O2/c11-7-3-8(5-12-4-7)14-2-1-10(16)9(6-15)13-14/h1-5,15H,6H2
InChIKeyHUEUNWYTZGOPFS-UHFFFAOYSA-N
XLogP0.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one (CID 91664588) is 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one is O=c1ccn(-c2cncc(F)c2)nc1CO.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one?
The InChIKey is HUEUNWYTZGOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-3-8(5-12-4-7)14-2-1-10(16)9(6-15)13-14/h1-5,15H,6H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one?
1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one has a molecular weight of 221.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-(hydroxymethyl)pyridazin-4-one is sourced from PubChem (CID 91664588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).