2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

C8H5IN2O2 — CID 126970326

IUPAC2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(I)[nH]c2n1
InChIInChI=1S/C8H5IN2O2/c9-6-3-4-1-2-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChIKeyFKHRCPLFCVOEHQ-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.87
Rot. Bonds1

About 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (PubChem CID 126970326) has the molecular formula C8H5IN2O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
PubChem CID126970326
Molecular FormulaC8H5IN2O2
Molecular Weight288.04 g/mol
Exact Mass287.94
IUPAC Name2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(I)[nH]c2n1
InChIInChI=1S/C8H5IN2O2/c9-6-3-4-1-2-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChIKeyFKHRCPLFCVOEHQ-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-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

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid (CID 126970326) is 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is O=C(O)c1ccc2cc(I)[nH]c2n1.
What is the InChIKey of 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is FKHRCPLFCVOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2/c9-6-3-4-1-2-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid?
2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 288.04 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126970326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).