4-bromo-7H-pyrrolo[2,3-d]pyrimidine

C6H4BrN3 — CID 23260885

IUPAC4-bromo-7H-pyrrolo[2,3-d]pyrimidine
SMILESBrc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyZFGUUMUJFWDZAB-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 4-bromo-7H-pyrrolo[2,3-d]pyrimidine

4-bromo-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 23260885) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 4-bromo-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-bromo-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID23260885
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name4-bromo-7H-pyrrolo[2,3-d]pyrimidine
SMILESBrc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyZFGUUMUJFWDZAB-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-bromo-7H-pyrrolo[2,3-d]pyrimidine (CID 23260885) is 4-bromo-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-bromo-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-bromo-7H-pyrrolo[2,3-d]pyrimidine is Brc1ncnc2[nH]ccc12.
What is the InChIKey of 4-bromo-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZFGUUMUJFWDZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10).
What are the key properties of 4-bromo-7H-pyrrolo[2,3-d]pyrimidine?
4-bromo-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 198.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 23260885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).