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

C10H8ClN3O3 — CID 44887432

IUPAC5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
SMILESO=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1.[Cl-]
InChIInChI=1S/C10H7N3O3.ClH/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9;/h1-7H;1H
InChIKeyUDJVLUSHCVCXCL-UHFFFAOYSA-N
MW253.65 g/mol
LogP-1.40
Rot. Bonds3

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

5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride (PubChem CID 44887432) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride.

Molecular Properties

Compound Name5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
PubChem CID44887432
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
SMILESO=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1.[Cl-]
InChIInChI=1S/C10H7N3O3.ClH/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9;/h1-7H;1H
InChIKeyUDJVLUSHCVCXCL-UHFFFAOYSA-N
XLogP-1.40
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 5-1.40
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
CID 5105142
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
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
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 chloride?
The IUPAC name of 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride (CID 44887432) is 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride.
What is the SMILES notation for 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride?
The canonical SMILES for 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride is O=[N+]([O-])c1ccc(Oc2ccc[nH+]c2)nc1.[Cl-].
What is the InChIKey of 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride?
The InChIKey is UDJVLUSHCVCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3.ClH/c14-13(15)8-3-4-10(12-6-8)16-9-2-1-5-11-7-9;/h1-7H;1H.
What are the key properties of 5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride?
5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride has a molecular weight of 253.65 g/mol, XLogP of -1.40, 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 chloride is sourced from PubChem (CID 44887432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).