(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol

C10H12N2O7 — CID 10858605

IUPAC(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
SMILESO=[N+]([O-])c1cccnc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H12N2O7/c13-6-4-18-10(8(15)7(6)14)19-9-5(12(16)17)2-1-3-11-9/h1-3,6-8,10,13-15H,4H2/t6-,7+,8-,10+/m1/s1
InChIKeyKOZQGHGECHADQY-JIOCBJNQSA-N
MW272.21 g/mol
LogP-1.19
Rot. Bonds3

About (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol

(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol (PubChem CID 10858605) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
PubChem CID10858605
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
SMILESO=[N+]([O-])c1cccnc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H12N2O7/c13-6-4-18-10(8(15)7(6)14)19-9-5(12(16)17)2-1-3-11-9/h1-3,6-8,10,13-15H,4H2/t6-,7+,8-,10+/m1/s1
InChIKeyKOZQGHGECHADQY-JIOCBJNQSA-N
XLogP-1.19
TPSA135.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
CID 129256660
2-cyclopentyloxy-3-nitropyridine
CID 124707283
3-nitro-2-(oxan-3-yloxy)pyridine
CID 67395287
(4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol
CID 166604487
[(3R,3aR,6R,6aS)-3-[(3-nitro-2-pyridinyl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] trifluoromethanesulfonate
CID 118498476
2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
(3-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 3252111

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol (CID 10858605) is (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol is O=[N+]([O-])c1cccnc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol?
The InChIKey is KOZQGHGECHADQY-JIOCBJNQSA-N. The full InChI is InChI=1S/C10H12N2O7/c13-6-4-18-10(8(15)7(6)14)19-9-5(12(16)17)2-1-3-11-9/h1-3,6-8,10,13-15H,4H2/t6-,7+,8-,10+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol has a molecular weight of 272.21 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 10858605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).