5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine

C7H5ClIN3 — CID 121416264

IUPAC5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
SMILESCn1ncc2cc(Cl)nc(I)c21
InChIInChI=1S/C7H5ClIN3/c1-12-6-4(3-10-12)2-5(8)11-7(6)9/h2-3H,1H3
InChIKeyNREWJTMWJRQMJX-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.23
Rot. Bonds

About 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine

5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine (PubChem CID 121416264) has the molecular formula C7H5ClIN3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
PubChem CID121416264
Molecular FormulaC7H5ClIN3
Molecular Weight293.50 g/mol
Exact Mass292.92
IUPAC Name5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
SMILESCn1ncc2cc(Cl)nc(I)c21
InChIInChI=1S/C7H5ClIN3/c1-12-6-4(3-10-12)2-5(8)11-7(6)9/h2-3H,1H3
InChIKeyNREWJTMWJRQMJX-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine (CID 121416264) is 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine is Cn1ncc2cc(Cl)nc(I)c21.
What is the InChIKey of 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine?
The InChIKey is NREWJTMWJRQMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClIN3/c1-12-6-4(3-10-12)2-5(8)11-7(6)9/h2-3H,1H3.
What are the key properties of 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine?
5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine has a molecular weight of 293.50 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121416264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).