4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine

C5H2ClIN4 — CID 56932112

IUPAC4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(I)c12
InChIInChI=1S/C5H2ClIN4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChIKeyIATZWLQPWGDNDQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.61
Rot. Bonds

About 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine

4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 56932112) has the molecular formula C5H2ClIN4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID56932112
Molecular FormulaC5H2ClIN4
Molecular Weight280.46 g/mol
Exact Mass279.90
IUPAC Name4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1ncnc2n[nH]c(I)c12
InChIInChI=1S/C5H2ClIN4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChIKeyIATZWLQPWGDNDQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 221095
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 1519489
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11789625
4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 12066449
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
6-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 52911254
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 12036561
3-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 54556582
4-chloro-6-fluoro-1H-pyrazolo[5,4-d]pyrimidine
CID 176255768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine (CID 56932112) is 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine is Clc1ncnc2n[nH]c(I)c12.
What is the InChIKey of 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is IATZWLQPWGDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11).
What are the key properties of 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine?
4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 280.46 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 56932112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).