5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one

C10H13FN2O5 — CID 123672496

IUPAC5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(O)c(C2NC(CO)C(O)C2O)cc1F
InChIInChI=1S/C10H13FN2O5/c11-4-1-3(9(17)13-10(4)18)6-8(16)7(15)5(2-14)12-6/h1,5-8,12,14-16H,2H2,(H2,13,17,18)
InChIKeyDIKQKKDIAWSNPS-UHFFFAOYSA-N
MW260.22 g/mol
LogP-2.05
Rot. Bonds2

About 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one

5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one (PubChem CID 123672496) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one
PubChem CID123672496
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(O)c(C2NC(CO)C(O)C2O)cc1F
InChIInChI=1S/C10H13FN2O5/c11-4-1-3(9(17)13-10(4)18)6-8(16)7(15)5(2-14)12-6/h1,5-8,12,14-16H,2H2,(H2,13,17,18)
InChIKeyDIKQKKDIAWSNPS-UHFFFAOYSA-N
XLogP-2.05
TPSA125.81 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one (CID 123672496) is 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one is O=c1[nH]c(O)c(C2NC(CO)C(O)C2O)cc1F.
What is the InChIKey of 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one?
The InChIKey is DIKQKKDIAWSNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5/c11-4-1-3(9(17)13-10(4)18)6-8(16)7(15)5(2-14)12-6/h1,5-8,12,14-16H,2H2,(H2,13,17,18).
What are the key properties of 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one?
5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one has a molecular weight of 260.22 g/mol, XLogP of -2.05, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3-fluoro-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 123672496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).