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

C6H3BrClN3 — CID 126455219

IUPAC6-bromo-3-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2cc(Br)cnc12
InChIInChI=1S/C6H3BrClN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKeyUGDBNHAYHKDWES-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.15
Rot. Bonds

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

6-bromo-3-chloropyrazolo[1,5-a]pyrimidine (PubChem CID 126455219) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-3-chloropyrazolo[1,5-a]pyrimidine
PubChem CID126455219
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name6-bromo-3-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1cnn2cc(Br)cnc12
InChIInChI=1S/C6H3BrClN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKeyUGDBNHAYHKDWES-UHFFFAOYSA-N
XLogP2.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine (CID 126455219) is 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine is Clc1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine?
The InChIKey is UGDBNHAYHKDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H.
What are the key properties of 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine?
6-bromo-3-chloropyrazolo[1,5-a]pyrimidine has a molecular weight of 232.47 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126455219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).