5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine

C16H11BrIN5 — CID 175125162

IUPAC5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine
SMILESBrc1cnc2n[nH]c(I)c2c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C6H3BrIN3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h1-8H;1-2H,(H,9,10,11)
InChIKeyFAUZFHHCBDRLBM-UHFFFAOYSA-N
MW480.11 g/mol
LogP4.47
Rot. Bonds1

About 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine

5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine (PubChem CID 175125162) has the molecular formula C16H11BrIN5 and a molecular weight of 480.11 g/mol. Its IUPAC name is 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine
PubChem CID175125162
Molecular FormulaC16H11BrIN5
Molecular Weight480.11 g/mol
Exact Mass478.92
IUPAC Name5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine
SMILESBrc1cnc2n[nH]c(I)c2c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C6H3BrIN3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h1-8H;1-2H,(H,9,10,11)
InChIKeyFAUZFHHCBDRLBM-UHFFFAOYSA-N
XLogP4.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.11
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine?
The IUPAC name of 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine (CID 175125162) is 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine?
The canonical SMILES for 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine is Brc1cnc2n[nH]c(I)c2c1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine?
The InChIKey is FAUZFHHCBDRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C6H3BrIN3/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h1-8H;1-2H,(H,9,10,11).
What are the key properties of 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine?
5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine has a molecular weight of 480.11 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;2-pyridin-2-ylpyridine is sourced from PubChem (CID 175125162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).