2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid

C8H5N3O5 — CID 114335292

IUPAC2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid
SMILESN#Cc1ccnc(OCC(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O5/c9-3-5-1-2-10-8(7(5)11(14)15)16-4-6(12)13/h1-2H,4H2,(H,12,13)
InChIKeyZYWXKQIBMXFVLF-UHFFFAOYSA-N
MW223.14 g/mol
LogP0.32
Rot. Bonds4

About 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid

2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid (PubChem CID 114335292) has the molecular formula C8H5N3O5 and a molecular weight of 223.14 g/mol. Its IUPAC name is 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid
PubChem CID114335292
Molecular FormulaC8H5N3O5
Molecular Weight223.14 g/mol
Exact Mass223.02
IUPAC Name2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid
SMILESN#Cc1ccnc(OCC(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O5/c9-3-5-1-2-10-8(7(5)11(14)15)16-4-6(12)13/h1-2H,4H2,(H,12,13)
InChIKeyZYWXKQIBMXFVLF-UHFFFAOYSA-N
XLogP0.32
TPSA126.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
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 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid (CID 114335292) is 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid is N#Cc1ccnc(OCC(=O)O)c1[N+](=O)[O-].
What is the InChIKey of 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid?
The InChIKey is ZYWXKQIBMXFVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O5/c9-3-5-1-2-10-8(7(5)11(14)15)16-4-6(12)13/h1-2H,4H2,(H,12,13).
What are the key properties of 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid?
2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid has a molecular weight of 223.14 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 114335292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).