3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine

C6H2BrClIN3 — CID 155822035

IUPAC3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine
SMILESClc1ncc(I)n2ncc(Br)c12
InChIInChI=1S/C6H2BrClIN3/c7-3-1-11-12-4(9)2-10-6(8)5(3)12/h1-2H
InChIKeyNHXISKDLMQSWFQ-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.75
Rot. Bonds

About 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine

3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine (PubChem CID 155822035) has the molecular formula C6H2BrClIN3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine
PubChem CID155822035
Molecular FormulaC6H2BrClIN3
Molecular Weight358.36 g/mol
Exact Mass356.82
IUPAC Name3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine
SMILESClc1ncc(I)n2ncc(Br)c12
InChIInChI=1S/C6H2BrClIN3/c7-3-1-11-12-4(9)2-10-6(8)5(3)12/h1-2H
InChIKeyNHXISKDLMQSWFQ-UHFFFAOYSA-N
XLogP2.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloropyrazolo[1,5-a]pyrazine
CID 72213177
3-Bromopyrazolo[1,5-a]pyrazine
CID 67123766
4-Chloro-6-methylpyrazolo[1,5-a]pyrazine
CID 137965858
4-Chloro-3-iodopyrazolo(1,5-a)pyrazine
CID 145913471
2-Bromo-4-chloropyrazolo(1,5-a)pyrazine
CID 164512828
2-Bromo-4-chloro-3-iodopyrazolo[1,5-a]pyrazine
CID 165980977
3-Bromo-4-chloropyrazolo[1,5-a]pyrazine
CID 132398777
4-Chloro-3-methylpyrazolo(1,5-a)pyrazine
CID 138991397
3-Bromo-6,7-dimethylpyrazolo[1,5-a]pyrazine
CID 154577612
3-Bromo-4-chloro-2-methylpyrazolo[1,5-a]pyrazine
CID 165749566
3-Bromo-4-chloro-6-methylpyrazolo[1,5-a]pyrazine
CID 177799120
2,4-Dichloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 163301766

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine (CID 155822035) is 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine is Clc1ncc(I)n2ncc(Br)c12.
What is the InChIKey of 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The InChIKey is NHXISKDLMQSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClIN3/c7-3-1-11-12-4(9)2-10-6(8)5(3)12/h1-2H.
What are the key properties of 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine has a molecular weight of 358.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-7-iodopyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 155822035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).