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

C9H11FN2O — CID 139373546

IUPAC1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2C[C@H]2F)c1=O
InChIInChI=1S/C9H11FN2O/c1-11-7-3-2-4-12(9(7)13)8-5-6(8)10/h2-4,6,8,11H,5H2,1H3/t6-,8-/m1/s1
InChIKeyQCUPWAFOVCAQAV-HTRCEHHLSA-N
MW182.20 g/mol
LogP1.17
Rot. Bonds2

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

1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one (PubChem CID 139373546) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
PubChem CID139373546
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@@H]2C[C@H]2F)c1=O
InChIInChI=1S/C9H11FN2O/c1-11-7-3-2-4-12(9(7)13)8-5-6(8)10/h2-4,6,8,11H,5H2,1H3/t6-,8-/m1/s1
InChIKeyQCUPWAFOVCAQAV-HTRCEHHLSA-N
XLogP1.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
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3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 39871952
3-Amino-1-(2-fluoroethyl)-1,2-dihydropyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one (CID 139373546) is 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@@H]2C[C@H]2F)c1=O.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one?
The InChIKey is QCUPWAFOVCAQAV-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-11-7-3-2-4-12(9(7)13)8-5-6(8)10/h2-4,6,8,11H,5H2,1H3/t6-,8-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one?
1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one has a molecular weight of 182.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 139373546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).