5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine

C8H5BrClF2N3 — CID 126711783

IUPAC5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFC(F)Cn1cc(Br)c2c(Cl)ncnc21
InChIInChI=1S/C8H5BrClF2N3/c9-4-1-15(2-5(11)12)8-6(4)7(10)13-3-14-8/h1,3,5H,2H2
InChIKeyLBZXNYKFPOLBIX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine

5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 126711783) has the molecular formula C8H5BrClF2N3 and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID126711783
Molecular FormulaC8H5BrClF2N3
Molecular Weight296.50 g/mol
Exact Mass294.93
IUPAC Name5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFC(F)Cn1cc(Br)c2c(Cl)ncnc21
InChIInChI=1S/C8H5BrClF2N3/c9-4-1-15(2-5(11)12)8-6(4)7(10)13-3-14-8/h1,3,5H,2H2
InChIKeyLBZXNYKFPOLBIX-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine (CID 126711783) is 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine is FC(F)Cn1cc(Br)c2c(Cl)ncnc21.
What is the InChIKey of 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is LBZXNYKFPOLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2N3/c9-4-1-15(2-5(11)12)8-6(4)7(10)13-3-14-8/h1,3,5H,2H2.
What are the key properties of 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine?
5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 296.50 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-(2,2-difluoroethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126711783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).