3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one

C10H13FN2O3 — CID 144630195

IUPAC3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]c(O)c(C2CCC(CO)N2)cc1F
InChIInChI=1S/C10H13FN2O3/c11-7-3-6(9(15)13-10(7)16)8-2-1-5(4-14)12-8/h3,5,8,12,14H,1-2,4H2,(H2,13,15,16)
InChIKeyNSAGMYKRJQIKBY-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.00
Rot. Bonds2

About 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one

3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 144630195) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID144630195
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]c(O)c(C2CCC(CO)N2)cc1F
InChIInChI=1S/C10H13FN2O3/c11-7-3-6(9(15)13-10(7)16)8-2-1-5(4-14)12-8/h3,5,8,12,14H,1-2,4H2,(H2,13,15,16)
InChIKeyNSAGMYKRJQIKBY-UHFFFAOYSA-N
XLogP0.00
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one (CID 144630195) is 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one is O=c1[nH]c(O)c(C2CCC(CO)N2)cc1F.
What is the InChIKey of 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is NSAGMYKRJQIKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-7-3-6(9(15)13-10(7)16)8-2-1-5(4-14)12-8/h3,5,8,12,14H,1-2,4H2,(H2,13,15,16).
What are the key properties of 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one?
3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 228.22 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-hydroxy-5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 144630195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).