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

C10H11FN2O2 — CID 137450688

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(C2=COCCC2)c1=O
InChIInChI=1S/C10H11FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-6H,1-3,12H2
InChIKeyJPUHHZJWAZRGKC-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.18
Rot. Bonds1

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

3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one (PubChem CID 137450688) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one
PubChem CID137450688
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(C2=COCCC2)c1=O
InChIInChI=1S/C10H11FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-6H,1-3,12H2
InChIKeyJPUHHZJWAZRGKC-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one (CID 137450688) is 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one is Nc1cc(F)cn(C2=COCCC2)c1=O.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one?
The InChIKey is JPUHHZJWAZRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-6H,1-3,12H2.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one?
3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one has a molecular weight of 210.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-5-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 137450688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).