5-Bromo-4-chloro-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine

• CAS: 870706-48-2
• Catalog Number: ACM870706482
• Category: Bromine Series
• Molecular Weight: 274.544860 [g/mol]
• Molecular Formula: C9H9BrClN3
• Synonyms: 5-Bromo-4-chloro-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine, 870706-48-2, PubChem17759, CTK8C6640, SPB-80421, AKOS015841736, KB-73353
• IUPAC Name: 5-bromo-4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
• InChI Key: ARSZZBPXLBCJRY-UHFFFAOYSA-N
• Exact Mass: 272.96700
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C9H9BrClN3.

What is the molecular weight of the compound?

The molecular weight is 274.54 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-bromo-4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine.

What is the InChI of the compound?

The InChI is InChI=1S/C9H9BrClN3/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3.

What is the InChIKey of the compound?

The InChIKey is ARSZZBPXLBCJRY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C)N1C=C(C2=C1N=CN=C2Cl)Br.

What is the CAS number of the compound?

The CAS number is 870706-48-2.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID70671867.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.

Is the compound Canonicalized?

Yes, the compound is canonicalized.