3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine

C8H8IN3 — CID 154729598

IUPAC3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine
SMILESCc1cc2c(cn1)c(I)nn2C
InChIInChI=1S/C8H8IN3/c1-5-3-7-6(4-10-5)8(9)11-12(7)2/h3-4H,1-2H3
InChIKeyKRHUPAUFNKNMLJ-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.88
Rot. Bonds

About 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine

3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine (PubChem CID 154729598) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine
PubChem CID154729598
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine
SMILESCc1cc2c(cn1)c(I)nn2C
InChIInChI=1S/C8H8IN3/c1-5-3-7-6(4-10-5)8(9)11-12(7)2/h3-4H,1-2H3
InChIKeyKRHUPAUFNKNMLJ-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.88
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-1,6-dimethylpyrazolo[4,3-c]pyridine?
The IUPAC name of 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine (CID 154729598) is 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine is Cc1cc2c(cn1)c(I)nn2C.
What is the InChIKey of 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine?
The InChIKey is KRHUPAUFNKNMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-5-3-7-6(4-10-5)8(9)11-12(7)2/h3-4H,1-2H3.
What are the key properties of 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine?
3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine has a molecular weight of 273.08 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,6-dimethylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 154729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).