3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine

C6H2BrFIN3 — CID 172907557

IUPAC3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(I)c2c(Br)[nH]nc2n1
InChIInChI=1S/C6H2BrFIN3/c7-5-4-2(9)1-3(8)10-6(4)12-11-5/h1H,(H,10,11,12)
InChIKeyKULZKZIJBIJJKI-UHFFFAOYSA-N
MW341.91 g/mol
LogP2.46
Rot. Bonds

About 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine

3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine (PubChem CID 172907557) has the molecular formula C6H2BrFIN3 and a molecular weight of 341.91 g/mol. Its IUPAC name is 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine
PubChem CID172907557
Molecular FormulaC6H2BrFIN3
Molecular Weight341.91 g/mol
Exact Mass340.85
IUPAC Name3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cc(I)c2c(Br)[nH]nc2n1
InChIInChI=1S/C6H2BrFIN3/c7-5-4-2(9)1-3(8)10-6(4)12-11-5/h1H,(H,10,11,12)
InChIKeyKULZKZIJBIJJKI-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine (CID 172907557) is 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine is Fc1cc(I)c2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KULZKZIJBIJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFIN3/c7-5-4-2(9)1-3(8)10-6(4)12-11-5/h1H,(H,10,11,12).
What are the key properties of 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine?
3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 341.91 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-4-iodo-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 172907557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).