2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C6H8IN3 — CID 129294970

IUPAC2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESIn1cc2c(n1)CCNC2
InChIInChI=1S/C6H8IN3/c7-10-4-5-3-8-2-1-6(5)9-10/h4,8H,1-3H2
InChIKeyUVYCOQIXZLLNMK-UHFFFAOYSA-N
MW249.05 g/mol
LogP0.73
Rot. Bonds

About 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 129294970) has the molecular formula C6H8IN3 and a molecular weight of 249.05 g/mol. Its IUPAC name is 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID129294970
Molecular FormulaC6H8IN3
Molecular Weight249.05 g/mol
Exact Mass248.98
IUPAC Name2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESIn1cc2c(n1)CCNC2
InChIInChI=1S/C6H8IN3/c7-10-4-5-3-8-2-1-6(5)9-10/h4,8H,1-3H2
InChIKeyUVYCOQIXZLLNMK-UHFFFAOYSA-N
XLogP0.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 129294970) is 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is In1cc2c(n1)CCNC2.
What is the InChIKey of 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UVYCOQIXZLLNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3/c7-10-4-5-3-8-2-1-6(5)9-10/h4,8H,1-3H2.
What are the key properties of 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 249.05 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 129294970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).