(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

C10H13FN2O3 — CID 11622718

IUPAC(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)n1
InChIInChI=1S/C10H13FN2O3/c11-10-5(1-2-9(12)13-10)7-3-6(15)8(4-14)16-7/h1-2,6-8,14-15H,3-4H2,(H2,12,13)/t6-,7+,8+/m0/s1
InChIKeyLLTJFCJWFKHREH-XLPZGREQSA-N
MW228.22 g/mol
LogP-0.01
Rot. Bonds2

About (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 11622718) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID11622718
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)n1
InChIInChI=1S/C10H13FN2O3/c11-10-5(1-2-9(12)13-10)7-3-6(15)8(4-14)16-7/h1-2,6-8,14-15H,3-4H2,(H2,12,13)/t6-,7+,8+/m0/s1
InChIKeyLLTJFCJWFKHREH-XLPZGREQSA-N
XLogP-0.01
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol (CID 11622718) is (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ccc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)n1.
What is the InChIKey of (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is LLTJFCJWFKHREH-XLPZGREQSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-10-5(1-2-9(12)13-10)7-3-6(15)8(4-14)16-7/h1-2,6-8,14-15H,3-4H2,(H2,12,13)/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 228.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-amino-2-fluoro-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 11622718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).