4-(2-iodoethyl)pyridine-3-carboxylic acid

C8H8INO2 — CID 174800330

IUPAC4-(2-iodoethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1CCI
InChIInChI=1S/C8H8INO2/c9-3-1-6-2-4-10-5-7(6)8(11)12/h2,4-5H,1,3H2,(H,11,12)
InChIKeyPGJMTUJLYMXPTG-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.76
Rot. Bonds3

About 4-(2-iodoethyl)pyridine-3-carboxylic acid

4-(2-iodoethyl)pyridine-3-carboxylic acid (PubChem CID 174800330) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 4-(2-iodoethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-iodoethyl)pyridine-3-carboxylic acid
PubChem CID174800330
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name4-(2-iodoethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1CCI
InChIInChI=1S/C8H8INO2/c9-3-1-6-2-4-10-5-7(6)8(11)12/h2,4-5H,1,3H2,(H,11,12)
InChIKeyPGJMTUJLYMXPTG-UHFFFAOYSA-N
XLogP1.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.76
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'}

Analyze 4-(2-iodoethyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propylpyridine-3-carboxylic acid
CID 21413297
4-hexylpyridine-3-carboxylic acid
CID 54526352
4-iodopyridine-3-carboxylic acid
CID 818279
4-(aminomethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68860386
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
4-fluoropyridine-3-carboxylic acid
CID 2762936
potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
CID 142681669
4-(2-octyldodecyl)pyridine-3-carboxylic acid
CID 23053579
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-acetylpyridine-4-carboxylic acid
CID 19902844
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-iodoethyl)pyridine-3-carboxylic acid (CID 174800330) is 4-(2-iodoethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-iodoethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-iodoethyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1CCI.
What is the InChIKey of 4-(2-iodoethyl)pyridine-3-carboxylic acid?
The InChIKey is PGJMTUJLYMXPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c9-3-1-6-2-4-10-5-7(6)8(11)12/h2,4-5H,1,3H2,(H,11,12).
What are the key properties of 4-(2-iodoethyl)pyridine-3-carboxylic acid?
4-(2-iodoethyl)pyridine-3-carboxylic acid has a molecular weight of 277.06 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 174800330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).