6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide

C5H4ClN3O4 — CID 23568379

IUPAC6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
SMILESO=[N+]([O-])c1ccc(Cl)nc1[NH+]([O-])O
InChIInChI=1S/C5H4ClN3O4/c6-4-2-1-3(8(10)11)5(7-4)9(12)13/h1-2,9,12H
InChIKeyVYZCYRNMKIVNNS-UHFFFAOYSA-N
MW205.56 g/mol
LogP0.05
Rot. Bonds2

About 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide

6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide (PubChem CID 23568379) has the molecular formula C5H4ClN3O4 and a molecular weight of 205.56 g/mol. Its IUPAC name is 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide.

Molecular Properties

Compound Name6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
PubChem CID23568379
Molecular FormulaC5H4ClN3O4
Molecular Weight205.56 g/mol
Exact Mass204.99
IUPAC Name6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
SMILESO=[N+]([O-])c1ccc(Cl)nc1[NH+]([O-])O
InChIInChI=1S/C5H4ClN3O4/c6-4-2-1-3(8(10)11)5(7-4)9(12)13/h1-2,9,12H
InChIKeyVYZCYRNMKIVNNS-UHFFFAOYSA-N
XLogP0.05
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.56
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-iodo-3-nitropyridine
CID 130882718
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
N-(6-chloro-3-nitro-2-pyridinyl)methanimine
CID 20671936
6-chloro-3-nitro-2-propan-2-ylpyridine
CID 79079026
6-chloro-3-nitro-2-propylpyridine
CID 20822926
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-5-nitropyridin-2-amine
CID 3069277
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770921
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
2-[(6-chloro-3-nitro-2-pyridinyl)amino]cycloheptan-1-ol
CID 113394870
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide?
The IUPAC name of 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide (CID 23568379) is 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide.
What is the SMILES notation for 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide?
The canonical SMILES for 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide is O=[N+]([O-])c1ccc(Cl)nc1[NH+]([O-])O.
What is the InChIKey of 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide?
The InChIKey is VYZCYRNMKIVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O4/c6-4-2-1-3(8(10)11)5(7-4)9(12)13/h1-2,9,12H.
What are the key properties of 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide?
6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide has a molecular weight of 205.56 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide is sourced from PubChem (CID 23568379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).