2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid

C7H5FINO2 — CID 130902433

IUPAC2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(I)ncc1F
InChIInChI=1S/C7H5FINO2/c8-5-3-10-6(9)1-4(5)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyUVNUEILKPXKRDW-UHFFFAOYSA-N
MW281.02 g/mol
LogP1.45
Rot. Bonds2

About 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid

2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid (PubChem CID 130902433) has the molecular formula C7H5FINO2 and a molecular weight of 281.02 g/mol. Its IUPAC name is 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
PubChem CID130902433
Molecular FormulaC7H5FINO2
Molecular Weight281.02 g/mol
Exact Mass280.93
IUPAC Name2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(I)ncc1F
InChIInChI=1S/C7H5FINO2/c8-5-3-10-6(9)1-4(5)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyUVNUEILKPXKRDW-UHFFFAOYSA-N
XLogP1.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.02
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid (CID 130902433) is 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid is O=C(O)Cc1cc(I)ncc1F.
What is the InChIKey of 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid?
The InChIKey is UVNUEILKPXKRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO2/c8-5-3-10-6(9)1-4(5)2-7(11)12/h1,3H,2H2,(H,11,12).
What are the key properties of 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid?
2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid has a molecular weight of 281.02 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid is sourced from PubChem (CID 130902433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).