3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one

C9H9FN4O — CID 137450706

IUPAC3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one
SMILESCn1ccc(-n2cc(F)cc(N)c2=O)n1
InChIInChI=1S/C9H9FN4O/c1-13-3-2-8(12-13)14-5-6(10)4-7(11)9(14)15/h2-5H,11H2,1H3
InChIKeyAHEBQFVIOWQPQP-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.29
Rot. Bonds1

About 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one

3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one (PubChem CID 137450706) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one
PubChem CID137450706
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one
SMILESCn1ccc(-n2cc(F)cc(N)c2=O)n1
InChIInChI=1S/C9H9FN4O/c1-13-3-2-8(12-13)14-5-6(10)4-7(11)9(14)15/h2-5H,11H2,1H3
InChIKeyAHEBQFVIOWQPQP-UHFFFAOYSA-N
XLogP0.29
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one (CID 137450706) is 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one is Cn1ccc(-n2cc(F)cc(N)c2=O)n1.
What is the InChIKey of 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one?
The InChIKey is AHEBQFVIOWQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-13-3-2-8(12-13)14-5-6(10)4-7(11)9(14)15/h2-5H,11H2,1H3.
What are the key properties of 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one?
3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one has a molecular weight of 208.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(1-methylpyrazol-3-yl)pyridin-2-one is sourced from PubChem (CID 137450706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).