6-bromo-3-iodopyrazolo[1,5-a]pyrimidine

C6H3BrIN3 — CID 56845243

IUPAC6-bromo-3-iodopyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2c(I)cnn2c1
InChIInChI=1S/C6H3BrIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKeyYYRFAUZQNJMKHU-UHFFFAOYSA-N
MW323.92 g/mol
LogP2.10
Rot. Bonds

About 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine

6-bromo-3-iodopyrazolo[1,5-a]pyrimidine (PubChem CID 56845243) has the molecular formula C6H3BrIN3 and a molecular weight of 323.92 g/mol. Its IUPAC name is 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-3-iodopyrazolo[1,5-a]pyrimidine
PubChem CID56845243
Molecular FormulaC6H3BrIN3
Molecular Weight323.92 g/mol
Exact Mass322.86
IUPAC Name6-bromo-3-iodopyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2c(I)cnn2c1
InChIInChI=1S/C6H3BrIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKeyYYRFAUZQNJMKHU-UHFFFAOYSA-N
XLogP2.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.92
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine (CID 56845243) is 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine is Brc1cnc2c(I)cnn2c1.
What is the InChIKey of 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine?
The InChIKey is YYRFAUZQNJMKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H.
What are the key properties of 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine?
6-bromo-3-iodopyrazolo[1,5-a]pyrimidine has a molecular weight of 323.92 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-iodopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56845243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).