5-nitro-2-pyridin-1-ium-3-yloxypyridine

C10H8N3O3+ — CID 5105142

IUPAC5-nitro-2-pyridin-1-ium-3-yloxypyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1
InChIInChI=1S/C10H7N3O3/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9/h1-7H/p+1
InChIKeyHFQSZQIHXXVQGG-UHFFFAOYSA-O
MW218.19 g/mol
LogP1.60
Rot. Bonds3

About 5-nitro-2-pyridin-1-ium-3-yloxypyridine

5-nitro-2-pyridin-1-ium-3-yloxypyridine (PubChem CID 5105142) has the molecular formula C10H8N3O3+ and a molecular weight of 218.19 g/mol. Its IUPAC name is 5-nitro-2-pyridin-1-ium-3-yloxypyridine.

Molecular Properties

Compound Name5-nitro-2-pyridin-1-ium-3-yloxypyridine
PubChem CID5105142
Molecular FormulaC10H8N3O3+
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC Name5-nitro-2-pyridin-1-ium-3-yloxypyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1
InChIInChI=1S/C10H7N3O3/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9/h1-7H/p+1
InChIKeyHFQSZQIHXXVQGG-UHFFFAOYSA-O
XLogP1.60
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
CID 44887432
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]-5-nitropyridine
CID 132567219
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981
4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
CID 175203508
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3984250

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-pyridin-1-ium-3-yloxypyridine?
The IUPAC name of 5-nitro-2-pyridin-1-ium-3-yloxypyridine (CID 5105142) is 5-nitro-2-pyridin-1-ium-3-yloxypyridine.
What is the SMILES notation for 5-nitro-2-pyridin-1-ium-3-yloxypyridine?
The canonical SMILES for 5-nitro-2-pyridin-1-ium-3-yloxypyridine is O=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1.
What is the InChIKey of 5-nitro-2-pyridin-1-ium-3-yloxypyridine?
The InChIKey is HFQSZQIHXXVQGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7N3O3/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9/h1-7H/p+1.
What are the key properties of 5-nitro-2-pyridin-1-ium-3-yloxypyridine?
5-nitro-2-pyridin-1-ium-3-yloxypyridine has a molecular weight of 218.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-pyridin-1-ium-3-yloxypyridine is sourced from PubChem (CID 5105142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).