1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid

C10H9IN2O2 — CID 174253441

IUPAC1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid
SMILESCCn1c(I)cc2ccnc(C(=O)O)c21
InChIInChI=1S/C10H9IN2O2/c1-2-13-7(11)5-6-3-4-12-8(9(6)13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyOQUXDKFVGZITED-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.36
Rot. Bonds2

About 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid

1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid (PubChem CID 174253441) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid
PubChem CID174253441
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid
SMILESCCn1c(I)cc2ccnc(C(=O)O)c21
InChIInChI=1S/C10H9IN2O2/c1-2-13-7(11)5-6-3-4-12-8(9(6)13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyOQUXDKFVGZITED-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-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 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid (CID 174253441) is 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid is CCn1c(I)cc2ccnc(C(=O)O)c21.
What is the InChIKey of 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid?
The InChIKey is OQUXDKFVGZITED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-2-13-7(11)5-6-3-4-12-8(9(6)13)10(14)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid?
1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid has a molecular weight of 316.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-iodopyrrolo[2,3-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 174253441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).