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

C6H3BrClN3 — CID 5380710

IUPAC5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]cc(Br)c12
InChIInChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKeyOXLMTRZWMHIZBY-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.37
Rot. Bonds

About 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 5380710) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID5380710
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]cc(Br)c12
InChIInChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKeyOXLMTRZWMHIZBY-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CID 5380710) is 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1ncnc2[nH]cc(Br)c12.
What is the InChIKey of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OXLMTRZWMHIZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11).
What are the key properties of 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 232.47 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 5380710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).