2-(5-iodo-2-oxo-1-pyridinyl)acetic acid

C7H6INO3 — CID 18539441

IUPAC2-(5-iodo-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1cc(I)ccc1=O
InChIInChI=1S/C7H6INO3/c8-5-1-2-6(10)9(3-5)4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyVXTPGDPVBSTJKR-UHFFFAOYSA-N
MW279.03 g/mol
LogP0.54
Rot. Bonds2

About 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid

2-(5-iodo-2-oxo-1-pyridinyl)acetic acid (PubChem CID 18539441) has the molecular formula C7H6INO3 and a molecular weight of 279.03 g/mol. Its IUPAC name is 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-iodo-2-oxo-1-pyridinyl)acetic acid
PubChem CID18539441
Molecular FormulaC7H6INO3
Molecular Weight279.03 g/mol
Exact Mass278.94
IUPAC Name2-(5-iodo-2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)Cn1cc(I)ccc1=O
InChIInChI=1S/C7H6INO3/c8-5-1-2-6(10)9(3-5)4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKeyVXTPGDPVBSTJKR-UHFFFAOYSA-N
XLogP0.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid (CID 18539441) is 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid is O=C(O)Cn1cc(I)ccc1=O.
What is the InChIKey of 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is VXTPGDPVBSTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3/c8-5-1-2-6(10)9(3-5)4-7(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid?
2-(5-iodo-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 279.03 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 18539441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).