3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one

C8H9FN2O — CID 137450504

IUPAC3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one
SMILESNc1cccn(C2C[C@H]2F)c1=O
InChIInChI=1S/C8H9FN2O/c9-5-4-7(5)11-3-1-2-6(10)8(11)12/h1-3,5,7H,4,10H2/t5-,7?/m1/s1
InChIKeyKXFOIKHTAOECKE-FOUAAFFMSA-N
MW168.17 g/mol
LogP0.71
Rot. Bonds1

About 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one

3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one (PubChem CID 137450504) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one
PubChem CID137450504
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one
SMILESNc1cccn(C2C[C@H]2F)c1=O
InChIInChI=1S/C8H9FN2O/c9-5-4-7(5)11-3-1-2-6(10)8(11)12/h1-3,5,7H,4,10H2/t5-,7?/m1/s1
InChIKeyKXFOIKHTAOECKE-FOUAAFFMSA-N
XLogP0.71
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one (CID 137450504) is 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one is Nc1cccn(C2C[C@H]2F)c1=O.
What is the InChIKey of 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one?
The InChIKey is KXFOIKHTAOECKE-FOUAAFFMSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-5-4-7(5)11-3-1-2-6(10)8(11)12/h1-3,5,7H,4,10H2/t5-,7?/m1/s1.
What are the key properties of 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one?
3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one has a molecular weight of 168.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one is sourced from PubChem (CID 137450504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).