2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid

C7H6IN3O4 — CID 87664860

IUPAC2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N(O)Nc1cc(I)ccn1
InChIInChI=1S/C7H6IN3O4/c8-4-1-2-9-5(3-4)10-11(15)6(12)7(13)14/h1-3,15H,(H,9,10)(H,13,14)
InChIKeyBSTXRQVEYPOZJI-UHFFFAOYSA-N
MW323.05 g/mol
LogP0.32
Rot. Bonds2

About 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid

2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid (PubChem CID 87664860) has the molecular formula C7H6IN3O4 and a molecular weight of 323.05 g/mol. Its IUPAC name is 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid
PubChem CID87664860
Molecular FormulaC7H6IN3O4
Molecular Weight323.05 g/mol
Exact Mass322.94
IUPAC Name2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)N(O)Nc1cc(I)ccn1
InChIInChI=1S/C7H6IN3O4/c8-4-1-2-9-5(3-4)10-11(15)6(12)7(13)14/h1-3,15H,(H,9,10)(H,13,14)
InChIKeyBSTXRQVEYPOZJI-UHFFFAOYSA-N
XLogP0.32
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.05
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid?
The IUPAC name of 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid (CID 87664860) is 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid is O=C(O)C(=O)N(O)Nc1cc(I)ccn1.
What is the InChIKey of 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid?
The InChIKey is BSTXRQVEYPOZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3O4/c8-4-1-2-9-5(3-4)10-11(15)6(12)7(13)14/h1-3,15H,(H,9,10)(H,13,14).
What are the key properties of 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid?
2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid has a molecular weight of 323.05 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid is sourced from PubChem (CID 87664860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).