3-iodo-1-methylpyrazolo[4,3-b]pyridine

C7H6IN3 — CID 54595415

IUPAC3-iodo-1-methylpyrazolo[4,3-b]pyridine
SMILESCn1nc(I)c2ncccc21
InChIInChI=1S/C7H6IN3/c1-11-5-3-2-4-9-6(5)7(8)10-11/h2-4H,1H3
InChIKeyNXNLWRAKHMLTGL-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.57
Rot. Bonds

About 3-iodo-1-methylpyrazolo[4,3-b]pyridine

3-iodo-1-methylpyrazolo[4,3-b]pyridine (PubChem CID 54595415) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 3-iodo-1-methylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-1-methylpyrazolo[4,3-b]pyridine
PubChem CID54595415
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name3-iodo-1-methylpyrazolo[4,3-b]pyridine
SMILESCn1nc(I)c2ncccc21
InChIInChI=1S/C7H6IN3/c1-11-5-3-2-4-9-6(5)7(8)10-11/h2-4H,1H3
InChIKeyNXNLWRAKHMLTGL-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 3-iodo-1-methylpyrazolo[4,3-b]pyridine?
The IUPAC name of 3-iodo-1-methylpyrazolo[4,3-b]pyridine (CID 54595415) is 3-iodo-1-methylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-iodo-1-methylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-iodo-1-methylpyrazolo[4,3-b]pyridine is Cn1nc(I)c2ncccc21.
What is the InChIKey of 3-iodo-1-methylpyrazolo[4,3-b]pyridine?
The InChIKey is NXNLWRAKHMLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c1-11-5-3-2-4-9-6(5)7(8)10-11/h2-4H,1H3.
What are the key properties of 3-iodo-1-methylpyrazolo[4,3-b]pyridine?
3-iodo-1-methylpyrazolo[4,3-b]pyridine has a molecular weight of 259.05 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 54595415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).