5-bromo-2,4-difluoropyrimidine

C4HBrF2N2 — CID 2763284

IUPAC5-bromo-2,4-difluoropyrimidine
SMILESFc1ncc(Br)c(F)n1
InChIInChI=1S/C4HBrF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKeyUPACQRCORIQBTF-UHFFFAOYSA-N
MW194.97 g/mol
LogP1.52
Rot. Bonds

About 5-bromo-2,4-difluoropyrimidine

5-bromo-2,4-difluoropyrimidine (PubChem CID 2763284) has the molecular formula C4HBrF2N2 and a molecular weight of 194.97 g/mol. Its IUPAC name is 5-bromo-2,4-difluoropyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-difluoropyrimidine
PubChem CID2763284
Molecular FormulaC4HBrF2N2
Molecular Weight194.97 g/mol
Exact Mass193.93
IUPAC Name5-bromo-2,4-difluoropyrimidine
SMILESFc1ncc(Br)c(F)n1
InChIInChI=1S/C4HBrF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKeyUPACQRCORIQBTF-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.97
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoropyrimidine?
The IUPAC name of 5-bromo-2,4-difluoropyrimidine (CID 2763284) is 5-bromo-2,4-difluoropyrimidine.
What is the SMILES notation for 5-bromo-2,4-difluoropyrimidine?
The canonical SMILES for 5-bromo-2,4-difluoropyrimidine is Fc1ncc(Br)c(F)n1.
What is the InChIKey of 5-bromo-2,4-difluoropyrimidine?
The InChIKey is UPACQRCORIQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF2N2/c5-2-1-8-4(7)9-3(2)6/h1H.
What are the key properties of 5-bromo-2,4-difluoropyrimidine?
5-bromo-2,4-difluoropyrimidine has a molecular weight of 194.97 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoropyrimidine is sourced from PubChem (CID 2763284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).