3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine

C5HBrCl2N4 — CID 56763820

IUPAC3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12)
InChIKeyXTVZOIZUAZZTOX-UHFFFAOYSA-N
MW267.90 g/mol
LogP2.42
Rot. Bonds

About 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine

3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 56763820) has the molecular formula C5HBrCl2N4 and a molecular weight of 267.90 g/mol. Its IUPAC name is 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID56763820
Molecular FormulaC5HBrCl2N4
Molecular Weight267.90 g/mol
Exact Mass265.88
IUPAC Name3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12)
InChIKeyXTVZOIZUAZZTOX-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.90
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
CID 615116
3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 122164349
4,6-Dichloro-3-fluoro-1H-pyrazolo[3,4-d]pyrimidine
CID 129319260
4-Chloro-3-fluoro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 129968572
3-Chloro-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18451679
3-chloro-1H-pyrazolo[3,4-d]pyriMidin-4-aMine
CID 18451684
3-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 71307751
3,4-Dichloro-1H-pyrazolo[3,4-d]pyrimidine
CID 76847025

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine (CID 56763820) is 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine is Clc1nc(Cl)c2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is XTVZOIZUAZZTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrCl2N4/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H,9,10,11,12).
What are the key properties of 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine?
3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 267.90 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 56763820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).