5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine

C6H3BrIN3 — CID 71743113

IUPAC5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine
SMILESBrc1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C6H3BrIN3/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H,10,11)
InChIKeyNLQYLFQIAAPJFX-UHFFFAOYSA-N
MW323.92 g/mol
LogP2.33
Rot. Bonds

About 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine

5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine (PubChem CID 71743113) has the molecular formula C6H3BrIN3 and a molecular weight of 323.92 g/mol. Its IUPAC name is 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine
PubChem CID71743113
Molecular FormulaC6H3BrIN3
Molecular Weight323.92 g/mol
Exact Mass322.86
IUPAC Name5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine
SMILESBrc1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C6H3BrIN3/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H,10,11)
InChIKeyNLQYLFQIAAPJFX-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.92
LogP ≤ 52.33
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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Related Compounds

3-Bromo-1H-pyrazolo(3,4-c)pyridine
CID 12668493
6-Bromo-1H-pyrazolo[4,3-b]pyridine
CID 40152259
1H-Pyrazolo[3,4-c]pyridine
CID 6451441
3-Iodo-1H-pyrazolo[3,4-c]pyridine
CID 53399429
5-Chloro-3-iodo-1h-pyrazolo(3,4-c)pyridine
CID 72213586
7-Chloro-1H-pyrazolo[3,4-c]pyridine
CID 12668491
6-Bromo-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 50989712
7-Bromo-6-azaindole
CID 19696456
3-iodo-1H-pyrazolo(4,3-c)pyridine
CID 21048666
3-methyl-1H-pyrazolo(4,3-c)pyridine
CID 23242576
5-bromo-3-methyl-1H-pyrazolo[3,4-c]pyridine
CID 25222947
6-Bromo-1-methyl-1H-pyrazolo(4,3-b)pyridine
CID 40152261

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine (CID 71743113) is 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine is Brc1cc2c(I)[nH]nc2cn1.
What is the InChIKey of 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is NLQYLFQIAAPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrIN3/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H,10,11).
What are the key properties of 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine?
5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 323.92 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71743113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).