2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid

C7H7N3O5 — CID 115572218

IUPAC2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid
SMILESO=C(O)CONc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c11-6(12)4-15-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyQVOYJGZGMSKZEL-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.42
Rot. Bonds5

About 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid

2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid (PubChem CID 115572218) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid
PubChem CID115572218
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid
SMILESO=C(O)CONc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c11-6(12)4-15-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12)
InChIKeyQVOYJGZGMSKZEL-UHFFFAOYSA-N
XLogP0.42
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-nitro-N-phenylmethoxypyridin-2-amine
CID 9108958
3-hydroxy-2-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 82025045
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
2-[(3-nitro-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110473
2-[[4-[(3-nitro-2-pyridinyl)amino]benzoyl]amino]acetic acid
CID 28854164
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid (CID 115572218) is 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid is O=C(O)CONc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid?
The InChIKey is QVOYJGZGMSKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c11-6(12)4-15-9-7-5(10(13)14)2-1-3-8-7/h1-3H,4H2,(H,8,9)(H,11,12).
What are the key properties of 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid?
2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid has a molecular weight of 213.15 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-2-pyridinyl)amino]oxyacetic acid is sourced from PubChem (CID 115572218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).