3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid

C10H11N3O5 — CID 64889835

IUPAC3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ncccc2[N+](=O)[O-])CCOC1
InChIInChI=1S/C10H11N3O5/c14-9(15)10(3-5-18-6-10)12-8-7(13(16)17)2-1-4-11-8/h1-2,4H,3,5-6H2,(H,11,12)(H,14,15)
InChIKeyJZKPDCVWNQSJIC-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.65
Rot. Bonds4

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

3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889835) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
PubChem CID64889835
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ncccc2[N+](=O)[O-])CCOC1
InChIInChI=1S/C10H11N3O5/c14-9(15)10(3-5-18-6-10)12-8-7(13(16)17)2-1-4-11-8/h1-2,4H,3,5-6H2,(H,11,12)(H,14,15)
InChIKeyJZKPDCVWNQSJIC-UHFFFAOYSA-N
XLogP0.65
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid (CID 64889835) is 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid is O=C(O)C1(Nc2ncccc2[N+](=O)[O-])CCOC1.
What is the InChIKey of 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JZKPDCVWNQSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-9(15)10(3-5-18-6-10)12-8-7(13(16)17)2-1-4-11-8/h1-2,4H,3,5-6H2,(H,11,12)(H,14,15).
What are the key properties of 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid?
3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).