2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid

C8H8INO3 — CID 89271531

IUPAC2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc(I)n1
InChIInChI=1S/C8H8INO3/c1-13-4-6-2-5(8(11)12)3-7(9)10-6/h2-3H,4H2,1H3,(H,11,12)
InChIKeyMOXNWSKFRIFMEN-UHFFFAOYSA-N
MW293.06 g/mol
LogP1.53
Rot. Bonds3

About 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid

2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid (PubChem CID 89271531) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid
PubChem CID89271531
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc(I)n1
InChIInChI=1S/C8H8INO3/c1-13-4-6-2-5(8(11)12)3-7(9)10-6/h2-3H,4H2,1H3,(H,11,12)
InChIKeyMOXNWSKFRIFMEN-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid (CID 89271531) is 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid is COCc1cc(C(=O)O)cc(I)n1.
What is the InChIKey of 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid?
The InChIKey is MOXNWSKFRIFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c1-13-4-6-2-5(8(11)12)3-7(9)10-6/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid?
2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid has a molecular weight of 293.06 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-(methoxymethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 89271531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).