3-methyliodanuidylpyridine-4-carboxylic acid

C7H7INO2- — CID 148860741

IUPAC3-methyliodanuidylpyridine-4-carboxylic acid
SMILESC[I-]c1cnccc1C(=O)O
InChIInChI=1S/C7H7INO2/c1-8-6-4-9-3-2-5(6)7(10)11/h2-4H,1H3,(H,10,11)/q-1
InChIKeyZXWCXEQVSNKVBD-UHFFFAOYSA-N
MW264.04 g/mol
LogP-2.33
Rot. Bonds2

About 3-methyliodanuidylpyridine-4-carboxylic acid

3-methyliodanuidylpyridine-4-carboxylic acid (PubChem CID 148860741) has the molecular formula C7H7INO2- and a molecular weight of 264.04 g/mol. Its IUPAC name is 3-methyliodanuidylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyliodanuidylpyridine-4-carboxylic acid
PubChem CID148860741
Molecular FormulaC7H7INO2-
Molecular Weight264.04 g/mol
Exact Mass263.95
IUPAC Name3-methyliodanuidylpyridine-4-carboxylic acid
SMILESC[I-]c1cnccc1C(=O)O
InChIInChI=1S/C7H7INO2/c1-8-6-4-9-3-2-5(6)7(10)11/h2-4H,1H3,(H,10,11)/q-1
InChIKeyZXWCXEQVSNKVBD-UHFFFAOYSA-N
XLogP-2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyliodanuidylpyridine-4-carboxylic acid?
The IUPAC name of 3-methyliodanuidylpyridine-4-carboxylic acid (CID 148860741) is 3-methyliodanuidylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyliodanuidylpyridine-4-carboxylic acid?
The canonical SMILES for 3-methyliodanuidylpyridine-4-carboxylic acid is C[I-]c1cnccc1C(=O)O.
What is the InChIKey of 3-methyliodanuidylpyridine-4-carboxylic acid?
The InChIKey is ZXWCXEQVSNKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7INO2/c1-8-6-4-9-3-2-5(6)7(10)11/h2-4H,1H3,(H,10,11)/q-1.
What are the key properties of 3-methyliodanuidylpyridine-4-carboxylic acid?
3-methyliodanuidylpyridine-4-carboxylic acid has a molecular weight of 264.04 g/mol, XLogP of -2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliodanuidylpyridine-4-carboxylic acid is sourced from PubChem (CID 148860741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).