7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine

C6H4BrIN4 — CID 169089399

IUPAC7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESNc1ncc(Br)c2n[nH]c(I)c12
InChIInChI=1S/C6H4BrIN4/c7-2-1-10-6(9)3-4(2)11-12-5(3)8/h1H,(H2,9,10)(H,11,12)
InChIKeyZVHVJGYAIFOPHU-UHFFFAOYSA-N
MW338.93 g/mol
LogP1.91
Rot. Bonds

About 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine

7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 169089399) has the molecular formula C6H4BrIN4 and a molecular weight of 338.93 g/mol. Its IUPAC name is 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID169089399
Molecular FormulaC6H4BrIN4
Molecular Weight338.93 g/mol
Exact Mass337.87
IUPAC Name7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESNc1ncc(Br)c2n[nH]c(I)c12
InChIInChI=1S/C6H4BrIN4/c7-2-1-10-6(9)3-4(2)11-12-5(3)8/h1H,(H2,9,10)(H,11,12)
InChIKeyZVHVJGYAIFOPHU-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine 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-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 169089399) is 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine is Nc1ncc(Br)c2n[nH]c(I)c12.
What is the InChIKey of 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is ZVHVJGYAIFOPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrIN4/c7-2-1-10-6(9)3-4(2)11-12-5(3)8/h1H,(H2,9,10)(H,11,12).
What are the key properties of 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine?
7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 338.93 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 169089399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).