4-amino-5-iodopyridine-3-carboxylic acid

C6H5IN2O2 — CID 71055662

IUPAC4-amino-5-iodopyridine-3-carboxylic acid
SMILESNc1c(I)cncc1C(=O)O
InChIInChI=1S/C6H5IN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKeyORCJNHMMHINXFA-UHFFFAOYSA-N
MW264.02 g/mol
LogP0.97
Rot. Bonds1

About 4-amino-5-iodopyridine-3-carboxylic acid

4-amino-5-iodopyridine-3-carboxylic acid (PubChem CID 71055662) has the molecular formula C6H5IN2O2 and a molecular weight of 264.02 g/mol. Its IUPAC name is 4-amino-5-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-iodopyridine-3-carboxylic acid
PubChem CID71055662
Molecular FormulaC6H5IN2O2
Molecular Weight264.02 g/mol
Exact Mass263.94
IUPAC Name4-amino-5-iodopyridine-3-carboxylic acid
SMILESNc1c(I)cncc1C(=O)O
InChIInChI=1S/C6H5IN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKeyORCJNHMMHINXFA-UHFFFAOYSA-N
XLogP0.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.02
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-5-iodopyridine-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-amino-5-iodopyridin-3-ol
CID 133055887
4-iodopyridine-3-carboxylic acid
CID 818279
2-amino-4,5-diiodobenzoic acid
CID 20534143
2-amino-5-chloro-3-iodobenzoic acid
CID 53441656
5-hydroxy-4-methylpyridine-3-carboxylic acid
CID 105429833
5-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130664018
8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941658
3-amino-2-fluoro-4-iodobenzoic acid
CID 131563992
4-amino-2,5-diiodobenzoic acid
CID 130968177
4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
CID 174669723
5-amino-2,3-diiodobenzoic acid
CID 131091000
2,4,5-triiodobenzoic acid
CID 4693340

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-iodopyridine-3-carboxylic acid?
The IUPAC name of 4-amino-5-iodopyridine-3-carboxylic acid (CID 71055662) is 4-amino-5-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-iodopyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-iodopyridine-3-carboxylic acid is Nc1c(I)cncc1C(=O)O.
What is the InChIKey of 4-amino-5-iodopyridine-3-carboxylic acid?
The InChIKey is ORCJNHMMHINXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11).
What are the key properties of 4-amino-5-iodopyridine-3-carboxylic acid?
4-amino-5-iodopyridine-3-carboxylic acid has a molecular weight of 264.02 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 71055662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).