(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol

C11H11F2N3O3 — CID 102573581

IUPAC(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1C[C@@H](O)[C@@H](n2cnc3c(F)ncc(F)c32)O1
InChIInChI=1S/C11H11F2N3O3/c12-6-2-14-10(13)8-9(6)16(4-15-8)11-7(18)1-5(3-17)19-11/h2,4-5,7,11,17-18H,1,3H2/t5-,7+,11-/m0/s1
InChIKeyOGZFFYUONQIPQY-MJIFXRKESA-N
MW271.22 g/mol
LogP0.35
Rot. Bonds2

About (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol

(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 102573581) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID102573581
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1C[C@@H](O)[C@@H](n2cnc3c(F)ncc(F)c32)O1
InChIInChI=1S/C11H11F2N3O3/c12-6-2-14-10(13)8-9(6)16(4-15-8)11-7(18)1-5(3-17)19-11/h2,4-5,7,11,17-18H,1,3H2/t5-,7+,11-/m0/s1
InChIKeyOGZFFYUONQIPQY-MJIFXRKESA-N
XLogP0.35
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.35
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,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
(2R,3R,5S)-2-[6-amino-2-(chloromethoxy)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 67669536
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,5S)-2-[6-amino-2-[(E)-2-bromoethenyl]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 171428870
(2R,3S,5S)-2-(3-cyclohexyl-[1,2,4]triazolo[3,4-f]purin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 163522169
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methoxypurin-1-yl)oxolan-3-ol
CID 67462865
N-acetyl-N-[9-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide
CID 136649981

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 102573581) is (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is OC[C@@H]1C[C@@H](O)[C@@H](n2cnc3c(F)ncc(F)c32)O1.
What is the InChIKey of (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OGZFFYUONQIPQY-MJIFXRKESA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-6-2-14-10(13)8-9(6)16(4-15-8)11-7(18)1-5(3-17)19-11/h2,4-5,7,11,17-18H,1,3H2/t5-,7+,11-/m0/s1.
What are the key properties of (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 271.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 102573581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).