3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione

C13H14FNO6 — CID 146000375

IUPAC3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
SMILESC#CCOC1=CC(C2OC(CO)C(O)[C@H]2F)C(=O)NC1=O
InChIInChI=1S/C13H14FNO6/c1-2-3-20-7-4-6(12(18)15-13(7)19)11-9(14)10(17)8(5-16)21-11/h1,4,6,8-11,16-17H,3,5H2,(H,15,18,19)/t6?,8?,9-,10?,11?/m1/s1
InChIKeyKMRDNPDVFFWVAR-WZLNGYMUSA-N
MW299.25 g/mol
LogP-1.75
Rot. Bonds4

About 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione

3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione (PubChem CID 146000375) has the molecular formula C13H14FNO6 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
PubChem CID146000375
Molecular FormulaC13H14FNO6
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
SMILESC#CCOC1=CC(C2OC(CO)C(O)[C@H]2F)C(=O)NC1=O
InChIInChI=1S/C13H14FNO6/c1-2-3-20-7-4-6(12(18)15-13(7)19)11-9(14)10(17)8(5-16)21-11/h1,4,6,8-11,16-17H,3,5H2,(H,15,18,19)/t6?,8?,9-,10?,11?/m1/s1
InChIKeyKMRDNPDVFFWVAR-WZLNGYMUSA-N
XLogP-1.75
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3-prop-2-ynylpyrimidine-2,4-dione
CID 146000120
3-[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-5-methyl-3H-pyridine-2,6-dione
CID 20716750
(2R,3R,4S,5S)-5-(4-amino-5-methyl-7H-cyclopenta[d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 167610929
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-5H-pyrimidin-4-one
CID 140510094
5-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
CID 168992818
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3H-pyridine-2,6-dione
CID 155906560
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 3006944
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 91668392
3-[(2S,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-prop-2-enyl-3H-pyridine-2,6-dione
CID 118593859
3-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
CID 163548917
6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluorocyclohex-4-ene-1,3-dione
CID 167031391

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione?
The IUPAC name of 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione (CID 146000375) is 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione?
The canonical SMILES for 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione is C#CCOC1=CC(C2OC(CO)C(O)[C@H]2F)C(=O)NC1=O.
What is the InChIKey of 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione?
The InChIKey is KMRDNPDVFFWVAR-WZLNGYMUSA-N. The full InChI is InChI=1S/C13H14FNO6/c1-2-3-20-7-4-6(12(18)15-13(7)19)11-9(14)10(17)8(5-16)21-11/h1,4,6,8-11,16-17H,3,5H2,(H,15,18,19)/t6?,8?,9-,10?,11?/m1/s1.
What are the key properties of 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione?
3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione has a molecular weight of 299.25 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione is sourced from PubChem (CID 146000375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).