1-(3-aminopropyl)-5-fluoropyridin-2-one

C8H11FN2O — CID 82146483

IUPAC1-(3-aminopropyl)-5-fluoropyridin-2-one
SMILESNCCCn1cc(F)ccc1=O
InChIInChI=1S/C8H11FN2O/c9-7-2-3-8(12)11(6-7)5-1-4-10/h2-3,6H,1,4-5,10H2
InChIKeyDNRXCAWVOMUNFW-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.34
Rot. Bonds3

About 1-(3-aminopropyl)-5-fluoropyridin-2-one

1-(3-aminopropyl)-5-fluoropyridin-2-one (PubChem CID 82146483) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-fluoropyridin-2-one
PubChem CID82146483
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-(3-aminopropyl)-5-fluoropyridin-2-one
SMILESNCCCn1cc(F)ccc1=O
InChIInChI=1S/C8H11FN2O/c9-7-2-3-8(12)11(6-7)5-1-4-10/h2-3,6H,1,4-5,10H2
InChIKeyDNRXCAWVOMUNFW-UHFFFAOYSA-N
XLogP0.34
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Aminoethyl)pyridin-2(1H)-one
CID 16791350
1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
1-(3-Aminopropyl)-2(1H)-pyridinone hydrochloride
CID 43810793
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
1-[(3S,4S)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693163
1-(4-Aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
CID 66693164
1-[(3R,4R)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693165
5-Fluoro-1-propylpyridin-2-one
CID 84313536
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388
1-(3-Amino-propyl)-3-trifluoromethyl-1H-pyridin-2-one. Hydrochloride salt
CID 131739538
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
CID 141424034
5-Amino-1-propyl-1,2-dihydropyridin-2-one
CID 20114714

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-5-fluoropyridin-2-one (CID 82146483) is 1-(3-aminopropyl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-5-fluoropyridin-2-one is NCCCn1cc(F)ccc1=O.
What is the InChIKey of 1-(3-aminopropyl)-5-fluoropyridin-2-one?
The InChIKey is DNRXCAWVOMUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-7-2-3-8(12)11(6-7)5-1-4-10/h2-3,6H,1,4-5,10H2.
What are the key properties of 1-(3-aminopropyl)-5-fluoropyridin-2-one?
1-(3-aminopropyl)-5-fluoropyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-fluoropyridin-2-one is sourced from PubChem (CID 82146483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).