6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine

C50H34Cl2I2N6 — CID 161440732

IUPAC6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Clc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C25H17ClIN3/c2*26-23-16-22-21(17-28-23)24(27)29-30(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2*1-17H
InChIKeyVZFVFSYTSYYIHW-UHFFFAOYSA-N
MW1043.58 g/mol
LogP13.06
Rot. Bonds8

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

6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 161440732) has the molecular formula C50H34Cl2I2N6 and a molecular weight of 1043.58 g/mol. Its IUPAC name is 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID161440732
Molecular FormulaC50H34Cl2I2N6
Molecular Weight1043.58 g/mol
Exact Mass1042.03
IUPAC Name6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
SMILESClc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Clc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C25H17ClIN3/c2*26-23-16-22-21(17-28-23)24(27)29-30(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2*1-17H
InChIKeyVZFVFSYTSYYIHW-UHFFFAOYSA-N
XLogP13.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.58
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-3-iodo-1-tritylpyrazolo[4,3-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 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine (CID 161440732) is 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine is Clc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Clc1cc2c(cn1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is VZFVFSYTSYYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H17ClIN3/c2*26-23-16-22-21(17-28-23)24(27)29-30(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h2*1-17H.
What are the key properties of 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine?
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 1043.58 g/mol, XLogP of 13.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 161440732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).