1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine

C12H6F2IN3 — CID 66664844

IUPAC1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(I)ccnc32)c(F)c1
InChIInChI=1S/C12H6F2IN3/c13-7-1-2-11(9(14)5-7)18-12-8(6-17-18)10(15)3-4-16-12/h1-6H
InChIKeyGOCYTLKWXZZAGL-UHFFFAOYSA-N
MW357.10 g/mol
LogP3.30
Rot. Bonds1

About 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine

1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine (PubChem CID 66664844) has the molecular formula C12H6F2IN3 and a molecular weight of 357.10 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine
PubChem CID66664844
Molecular FormulaC12H6F2IN3
Molecular Weight357.10 g/mol
Exact Mass356.96
IUPAC Name1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(I)ccnc32)c(F)c1
InChIInChI=1S/C12H6F2IN3/c13-7-1-2-11(9(14)5-7)18-12-8(6-17-18)10(15)3-4-16-12/h1-6H
InChIKeyGOCYTLKWXZZAGL-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]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 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine (CID 66664844) is 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine is Fc1ccc(-n2ncc3c(I)ccnc32)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine?
The InChIKey is GOCYTLKWXZZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2IN3/c13-7-1-2-11(9(14)5-7)18-12-8(6-17-18)10(15)3-4-16-12/h1-6H.
What are the key properties of 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine?
1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine has a molecular weight of 357.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-iodopyrazolo[3,4-b]pyridine is sourced from PubChem (CID 66664844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).