3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine

C7H7IN2 — CID 118346675

IUPAC3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESIC1=C2C=CC=CN2NC1
InChIInChI=1S/C7H7IN2/c8-6-5-9-10-4-2-1-3-7(6)10/h1-4,9H,5H2
InChIKeyIWNJUOVREOFQTH-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.54
Rot. Bonds

About 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine

3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine (PubChem CID 118346675) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine
PubChem CID118346675
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESIC1=C2C=CC=CN2NC1
InChIInChI=1S/C7H7IN2/c8-6-5-9-10-4-2-1-3-7(6)10/h1-4,9H,5H2
InChIKeyIWNJUOVREOFQTH-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1,2-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine (CID 118346675) is 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine is IC1=C2C=CC=CN2NC1.
What is the InChIKey of 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is IWNJUOVREOFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2/c8-6-5-9-10-4-2-1-3-7(6)10/h1-4,9H,5H2.
What are the key properties of 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine?
3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 246.05 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118346675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).