3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine

C6H2BrCl2N3 — CID 14750355

IUPAC3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
InChIKeyCJIKMWXLGRVJMI-UHFFFAOYSA-N
MW266.91 g/mol
LogP2.80
Rot. Bonds

About 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine

3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine (PubChem CID 14750355) has the molecular formula C6H2BrCl2N3 and a molecular weight of 266.91 g/mol. Its IUPAC name is 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
PubChem CID14750355
Molecular FormulaC6H2BrCl2N3
Molecular Weight266.91 g/mol
Exact Mass264.88
IUPAC Name3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
InChIKeyCJIKMWXLGRVJMI-UHFFFAOYSA-N
XLogP2.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.91
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
3-Bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 12281649
5,7-Dichloro-3-ethylpyrazolo(1,5-a)pyrimidine
CID 17750391
7-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21766612
3-Bromo-7-chloropyrazolo(1,5-a)pyrimidine
CID 21897627
6-Bromopyrazolo[1,5-a]pyrimidine
CID 22236701
5,7-Dichloro-3-iodopyrazolo[1,5-a]pyrimidine
CID 23539599
5-Chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
CID 23539610
5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 45480447

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine (CID 14750355) is 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The InChIKey is CJIKMWXLGRVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H.
What are the key properties of 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine?
3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine has a molecular weight of 266.91 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 14750355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).