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

C6H4IN3 — CID 53399429

IUPAC3-iodo-2H-pyrazolo[3,4-c]pyridine
SMILESIc1[nH]nc2cnccc12
InChIInChI=1S/C6H4IN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKeyBFJMHTOBRRZELQ-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.56
Rot. Bonds

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

3-iodo-2H-pyrazolo[3,4-c]pyridine (PubChem CID 53399429) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-iodo-2H-pyrazolo[3,4-c]pyridine
PubChem CID53399429
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name3-iodo-2H-pyrazolo[3,4-c]pyridine
SMILESIc1[nH]nc2cnccc12
InChIInChI=1S/C6H4IN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKeyBFJMHTOBRRZELQ-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

3-pyridin-4-yl-1H-indazole
CID 12412578
6-Azaindole
CID 9219
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
1H-1,2,3-Triazlo(4,5-c)pyridine
CID 136084
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 6539529
3-(Pyridin-4-ylethynyl)-1H-indazole
CID 42606077
N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
CID 54673065
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646
3-phenyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253684
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
3-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512722

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-iodo-2H-pyrazolo[3,4-c]pyridine (CID 53399429) is 3-iodo-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-iodo-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-iodo-2H-pyrazolo[3,4-c]pyridine is Ic1[nH]nc2cnccc12.
What is the InChIKey of 3-iodo-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is BFJMHTOBRRZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10).
What are the key properties of 3-iodo-2H-pyrazolo[3,4-c]pyridine?
3-iodo-2H-pyrazolo[3,4-c]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-c]pyridine is sourced from PubChem (CID 53399429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).