7-iodo-1-propylpyrazolo[4,3-b]pyridine

C9H10IN3 — CID 67470502

IUPAC7-iodo-1-propylpyrazolo[4,3-b]pyridine
SMILESCCCn1ncc2nccc(I)c21
InChIInChI=1S/C9H10IN3/c1-2-5-13-9-7(10)3-4-11-8(9)6-12-13/h3-4,6H,2,5H2,1H3
InChIKeyPVLNSWHWLODKED-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.45
Rot. Bonds2

About 7-iodo-1-propylpyrazolo[4,3-b]pyridine

7-iodo-1-propylpyrazolo[4,3-b]pyridine (PubChem CID 67470502) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 7-iodo-1-propylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-iodo-1-propylpyrazolo[4,3-b]pyridine
PubChem CID67470502
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name7-iodo-1-propylpyrazolo[4,3-b]pyridine
SMILESCCCn1ncc2nccc(I)c21
InChIInChI=1S/C9H10IN3/c1-2-5-13-9-7(10)3-4-11-8(9)6-12-13/h3-4,6H,2,5H2,1H3
InChIKeyPVLNSWHWLODKED-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-iodo-1-propylpyrazolo[4,3-b]pyridine 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 7-iodo-1-propylpyrazolo[4,3-b]pyridine?
The IUPAC name of 7-iodo-1-propylpyrazolo[4,3-b]pyridine (CID 67470502) is 7-iodo-1-propylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-iodo-1-propylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-iodo-1-propylpyrazolo[4,3-b]pyridine is CCCn1ncc2nccc(I)c21.
What is the InChIKey of 7-iodo-1-propylpyrazolo[4,3-b]pyridine?
The InChIKey is PVLNSWHWLODKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3/c1-2-5-13-9-7(10)3-4-11-8(9)6-12-13/h3-4,6H,2,5H2,1H3.
What are the key properties of 7-iodo-1-propylpyrazolo[4,3-b]pyridine?
7-iodo-1-propylpyrazolo[4,3-b]pyridine has a molecular weight of 287.10 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-propylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 67470502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).