3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one

C10H11FN2O2 — CID 142523769

IUPAC3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(C2=CCOCC2)c1=O
InChIInChI=1S/C10H11FN2O2/c11-7-5-9(12)10(14)13(6-7)8-1-3-15-4-2-8/h1,5-6H,2-4,12H2
InChIKeyOJAMEZKQJOMKBR-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one

3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one (PubChem CID 142523769) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one
PubChem CID142523769
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(C2=CCOCC2)c1=O
InChIInChI=1S/C10H11FN2O2/c11-7-5-9(12)10(14)13(6-7)8-1-3-15-4-2-8/h1,5-6H,2-4,12H2
InChIKeyOJAMEZKQJOMKBR-UHFFFAOYSA-N
XLogP0.83
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one?
The IUPAC name of 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one (CID 142523769) is 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one is Nc1cc(F)cn(C2=CCOCC2)c1=O.
What is the InChIKey of 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one?
The InChIKey is OJAMEZKQJOMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-7-5-9(12)10(14)13(6-7)8-1-3-15-4-2-8/h1,5-6H,2-4,12H2.
What are the key properties of 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one?
3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one has a molecular weight of 210.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,6-dihydro-2H-pyran-4-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 142523769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).