6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one

C9H11FN2O4 — CID 118005124

IUPAC6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
SMILESO=c1cnc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(F)[nH]1
InChIInChI=1S/C9H11FN2O4/c10-9-8(11-2-7(15)12-9)5-1-4(14)6(3-13)16-5/h2,4-6,13-14H,1,3H2,(H,12,15)/t4-,5-,6-/m1/s1
InChIKeyXYRZOKXWUCDOCM-HSUXUTPPSA-N
MW230.19 g/mol
LogP-0.91
Rot. Bonds2

About 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one

6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one (PubChem CID 118005124) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
PubChem CID118005124
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
SMILESO=c1cnc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(F)[nH]1
InChIInChI=1S/C9H11FN2O4/c10-9-8(11-2-7(15)12-9)5-1-4(14)6(3-13)16-5/h2,4-6,13-14H,1,3H2,(H,12,15)/t4-,5-,6-/m1/s1
InChIKeyXYRZOKXWUCDOCM-HSUXUTPPSA-N
XLogP-0.91
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one (CID 118005124) is 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one is O=c1cnc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(F)[nH]1.
What is the InChIKey of 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The InChIKey is XYRZOKXWUCDOCM-HSUXUTPPSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-9-8(11-2-7(15)12-9)5-1-4(14)6(3-13)16-5/h2,4-6,13-14H,1,3H2,(H,12,15)/t4-,5-,6-/m1/s1.
What are the key properties of 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one has a molecular weight of 230.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 118005124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).