3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one

C9H11FN2O — CID 164558563

IUPAC3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one
SMILESCn1c(F)c(C2CC2)cc(N)c1=O
InChIInChI=1S/C9H11FN2O/c1-12-8(10)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3
InChIKeyZWBKKULZAJUITK-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.98
Rot. Bonds1

About 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one

3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one (PubChem CID 164558563) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one
PubChem CID164558563
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one
SMILESCn1c(F)c(C2CC2)cc(N)c1=O
InChIInChI=1S/C9H11FN2O/c1-12-8(10)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3
InChIKeyZWBKKULZAJUITK-UHFFFAOYSA-N
XLogP0.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one (CID 164558563) is 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one is Cn1c(F)c(C2CC2)cc(N)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one?
The InChIKey is ZWBKKULZAJUITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-12-8(10)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3.
What are the key properties of 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one?
3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one has a molecular weight of 182.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-6-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 164558563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).