3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one

C9H11FN2O — CID 118155159

IUPAC3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(CC2CC2)c1=O
InChIInChI=1S/C9H11FN2O/c10-7-3-8(11)9(13)12(5-7)4-6-1-2-6/h3,5-6H,1-2,4,11H2
InChIKeyJJSZPZBYHRODLW-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one

3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one (PubChem CID 118155159) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one
PubChem CID118155159
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one
SMILESNc1cc(F)cn(CC2CC2)c1=O
InChIInChI=1S/C9H11FN2O/c10-7-3-8(11)9(13)12(5-7)4-6-1-2-6/h3,5-6H,1-2,4,11H2
InChIKeyJJSZPZBYHRODLW-UHFFFAOYSA-N
XLogP0.98
TPSA48.02 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 39871952
3-Amino-1-(2-fluoroethyl)-1,2-dihydropyridin-2-one
CID 80693892
3-Amino-1-cyclopropyl-5-fluoropyridin-2-one
CID 118139915
3-Amino-5-fluoro-1-(2-fluoroethyl)pyridin-2-one
CID 118139920
3-Amino-5-fluoro-1-propylpyridin-2-one
CID 122630844
3-Amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
CID 130267768
3-amino-1-[(2S)-2-fluorocyclopropyl]pyridin-2-one
CID 137450306
3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one
CID 137450504
3-Amino-4-fluoro-1-prop-1-en-2-ylpyridin-2-one
CID 137450545
3-Amino-1-((1S,2S)-2-fluorocyclopropyl)pyridin-2(1H)-one
CID 137457374
3-Amino-1-((1R,2R)-2-fluorocyclopropyl)pyridin-2(1H)-one
CID 137457438
1-[(1R,2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
CID 139373546

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one?
The IUPAC name of 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one (CID 118155159) is 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one.
What is the SMILES notation for 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one?
The canonical SMILES for 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one is Nc1cc(F)cn(CC2CC2)c1=O.
What is the InChIKey of 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one?
The InChIKey is JJSZPZBYHRODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-7-3-8(11)9(13)12(5-7)4-6-1-2-6/h3,5-6H,1-2,4,11H2.
What are the key properties of 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one?
3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one has a molecular weight of 182.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropylmethyl)-5-fluoropyridin-2-one is sourced from PubChem (CID 118155159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).