2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine

C7H3BrClF2N3 — CID 118991229

IUPAC2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine
SMILESFC(F)n1cc(Cl)c2nc(Br)cnc21
InChIInChI=1S/C7H3BrClF2N3/c8-4-1-12-6-5(13-4)3(9)2-14(6)7(10)11/h1-2,7H
InChIKeyHWLRZGKMYCRQPR-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.24
Rot. Bonds1

About 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine

2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine (PubChem CID 118991229) has the molecular formula C7H3BrClF2N3 and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine
PubChem CID118991229
Molecular FormulaC7H3BrClF2N3
Molecular Weight282.48 g/mol
Exact Mass280.92
IUPAC Name2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine
SMILESFC(F)n1cc(Cl)c2nc(Br)cnc21
InChIInChI=1S/C7H3BrClF2N3/c8-4-1-12-6-5(13-4)3(9)2-14(6)7(10)11/h1-2,7H
InChIKeyHWLRZGKMYCRQPR-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine (CID 118991229) is 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine is FC(F)n1cc(Cl)c2nc(Br)cnc21.
What is the InChIKey of 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine?
The InChIKey is HWLRZGKMYCRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2N3/c8-4-1-12-6-5(13-4)3(9)2-14(6)7(10)11/h1-2,7H.
What are the key properties of 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine?
2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine has a molecular weight of 282.48 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chloro-5-(difluoromethyl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 118991229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).