(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C13H14FN3O3 — CID 132564643

IUPAC(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3cccnc3F)c2)C[C@@H]1O
InChIInChI=1S/C13H14FN3O3/c14-13-8(2-1-3-15-13)9-5-17(7-16-9)12-4-10(19)11(6-18)20-12/h1-3,5,7,10-12,18-19H,4,6H2/t10-,11+,12+/m0/s1
InChIKeyVRFASHPURNXWLH-QJPTWQEYSA-N
MW279.27 g/mol
LogP0.72
Rot. Bonds3

About (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 132564643) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID132564643
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cnc(-c3cccnc3F)c2)C[C@@H]1O
InChIInChI=1S/C13H14FN3O3/c14-13-8(2-1-3-15-13)9-5-17(7-16-9)12-4-10(19)11(6-18)20-12/h1-3,5,7,10-12,18-19H,4,6H2/t10-,11+,12+/m0/s1
InChIKeyVRFASHPURNXWLH-QJPTWQEYSA-N
XLogP0.72
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 102307356
(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 91292674
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
CID 101024789
(2R,5R)-5-[6-(dimethylamino)-2-pyridin-2-ylbenzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 71109632
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitrobenzimidazol-1-yl)oxolan-3-ol
CID 14464884
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 25034080
5-(4-fluorophenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11151381
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(1,10-phenanthrolin-3-yl)ethyl]pyrimidine-2,4-dione
CID 101210485

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 132564643) is (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](n2cnc(-c3cccnc3F)c2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VRFASHPURNXWLH-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-13-8(2-1-3-15-13)9-5-17(7-16-9)12-4-10(19)11(6-18)20-12/h1-3,5,7,10-12,18-19H,4,6H2/t10-,11+,12+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 279.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 132564643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).