2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid

C8H8INO3 — CID 166790016

IUPAC2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
SMILESCOc1nccc(I)c1CC(=O)O
InChIInChI=1S/C8H8INO3/c1-13-8-5(4-7(11)12)6(9)2-3-10-8/h2-3H,4H2,1H3,(H,11,12)
InChIKeyUWTNYLGQARETMR-UHFFFAOYSA-N
MW293.06 g/mol
LogP1.32
Rot. Bonds3

About 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid

2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid (PubChem CID 166790016) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
PubChem CID166790016
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
SMILESCOc1nccc(I)c1CC(=O)O
InChIInChI=1S/C8H8INO3/c1-13-8-5(4-7(11)12)6(9)2-3-10-8/h2-3H,4H2,1H3,(H,11,12)
InChIKeyUWTNYLGQARETMR-UHFFFAOYSA-N
XLogP1.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.32
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-(4-iodo-2-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid (CID 166790016) is 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid is COc1nccc(I)c1CC(=O)O.
What is the InChIKey of 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid?
The InChIKey is UWTNYLGQARETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c1-13-8-5(4-7(11)12)6(9)2-3-10-8/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid?
2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid has a molecular weight of 293.06 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 166790016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).