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'}

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Related Compounds

carbanide;6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine;6-chloro-3-methylsulfanyl-1-tritylpyrazolo[4,3-c]pyridine;copper(1+);2-pyridin-2-ylpyridine
CID 160512327
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
6-chloro-3-(trifluoromethylsulfanyl)-1-tritylpyrazolo[4,3-c]pyridine
CID 118271805
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272494
6-chloro-N-(1,1,1-trifluoropropan-2-yl)-1-tritylpyrazolo[4,3-c]pyridin-3-amine;methane
CID 158560990
6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757
6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one
CID 118272301
(3-iodo-1-tritylpyrazolo[3,4-c]pyridin-5-yl)carbamic acid
CID 141079201
5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
CID 176620839
5-ethenoxy-3-iodo-1-tritylindazole
CID 90399005
3-bromo-5-chloro-1-tritylpyrazole
CID 135206927
3-iodo-6-(1-phenylethyl)-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984246

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).