5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one

C14H16FNO5 — CID 144823498

IUPAC5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)c(C)c(F)c1[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C14H16FNO5/c1-3-4-7-9(10(15)6(2)14(20)16-7)13-12(19)11(18)8(5-17)21-13/h8,11-13,17-19H,5H2,1-2H3,(H,16,20)/t8-,11?,12?,13+/m1/s1
InChIKeySANHGQRBPHBNPJ-FFCMBITGSA-N
MW297.28 g/mol
LogP-0.65
Rot. Bonds2

About 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one

5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one (PubChem CID 144823498) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one
PubChem CID144823498
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1[nH]c(=O)c(C)c(F)c1[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C14H16FNO5/c1-3-4-7-9(10(15)6(2)14(20)16-7)13-12(19)11(18)8(5-17)21-13/h8,11-13,17-19H,5H2,1-2H3,(H,16,20)/t8-,11?,12?,13+/m1/s1
InChIKeySANHGQRBPHBNPJ-FFCMBITGSA-N
XLogP-0.65
TPSA102.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6-difluoro-3-methyl-1H-pyridin-2-one
CID 123736213
6-ethynyl-4-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
CID 118005021
4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004679
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyridin-2-one
CID 118004766
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethynyl-3-methyl-1H-pyrazin-2-one
CID 118004756
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethynyl-3-methyl-1H-pyrazin-2-one
CID 123980983
5-[(2S,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-4-fluoro-6-prop-1-ynyl-1H-pyridin-2-one
CID 118004918
6-tert-butyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 175993283
6-hydroxy-1-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 24865960
3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
CID 144823641
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
CID 123460212

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one?
The IUPAC name of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one (CID 144823498) is 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one is CC#Cc1[nH]c(=O)c(C)c(F)c1[C@@H]1O[C@H](CO)C(O)C1O.
What is the InChIKey of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one?
The InChIKey is SANHGQRBPHBNPJ-FFCMBITGSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-3-4-7-9(10(15)6(2)14(20)16-7)13-12(19)11(18)8(5-17)21-13/h8,11-13,17-19H,5H2,1-2H3,(H,16,20)/t8-,11?,12?,13+/m1/s1.
What are the key properties of 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one?
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one has a molecular weight of 297.28 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-fluoro-3-methyl-6-prop-1-ynyl-1H-pyridin-2-one is sourced from PubChem (CID 144823498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).