3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine

• Catalog Number: ACM944903064
• Product Name: 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
• CAS: 944903-06-4
• Category: Heterocyclic Organic Compound
• Synonyms: 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine, 944903-06-4, CTK5H6730, MolPort-009-200-016, ANW-72640, AKOS015836080, AB59137, AG-L-25219, RP28077, AK-31687, KB-235215, 1H-PYRAZOLO[3,4-D]PYRIMIDINE, 3-BROMO-6-CHLORO-
• IUPAC Name: 3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine
• Molecular Weight: 233.453180 [g/mol]
• Molecular Formula: C5H2BrClN4
• Canonical SMILES: C1=NC(=NC2=NNC(=C21)Br)Cl
• InChI Key: HITNWCAUPNRMES-UHFFFAOYSA-N
• Density: 2.128g/cm³
• Exact Mass: 231.91500
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The molecular formula is C5H2BrClN4.

What is the molecular weight of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The molecular weight is 233.45 g/mol.

When was 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine created?

It was created on June 21, 2011.

What is the IUPAC name of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The IUPAC name is 3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine.

What is the InChI of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The InChI is InChI=1S/C5H2BrClN4/c6-3-2-1-8-5(7)9-4(2)11-10-3/h1H,(H,8,9,10,11).

What is the InChIKey of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The InChIKey is HITNWCAUPNRMES-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The canonical SMILES is C1=NC(=NC2=NNC(=C21)Br)Cl.

What is the CAS number of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The CAS number is 944903-06-4.

What is the XLogP3-AA value of 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine?

The XLogP3-AA value is 2.2.

Is 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.