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

C6H4IN3 — CID 14043694

IUPAC3-iodo-2H-pyrazolo[3,4-b]pyridine
SMILESIc1[nH]nc2ncccc12
InChIInChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChIKeyTYXAGVKIICJXGF-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.56
Rot. Bonds

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

3-iodo-2H-pyrazolo[3,4-b]pyridine (PubChem CID 14043694) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-iodo-2H-pyrazolo[3,4-b]pyridine
PubChem CID14043694
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name3-iodo-2H-pyrazolo[3,4-b]pyridine
SMILESIc1[nH]nc2ncccc12
InChIInChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10)
InChIKeyTYXAGVKIICJXGF-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 46885627
n-Benzyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221091
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 2421499
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
4-Phenyl-1H-pyrazolo[3,4-b]pyridin-3-ylamine
CID 2764173
3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyridine
CID 9834334

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-iodo-2H-pyrazolo[3,4-b]pyridine (CID 14043694) is 3-iodo-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-iodo-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-iodo-2H-pyrazolo[3,4-b]pyridine is Ic1[nH]nc2ncccc12.
What is the InChIKey of 3-iodo-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is TYXAGVKIICJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10).
What are the key properties of 3-iodo-2H-pyrazolo[3,4-b]pyridine?
3-iodo-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 245.02 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 14043694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).