5-bromo-4-fluoropyrimidine

C4H2BrFN2 — CID 54126891

IUPAC5-bromo-4-fluoropyrimidine
SMILESFc1ncncc1Br
InChIInChI=1S/C4H2BrFN2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyJANBRLKWZSDCOQ-UHFFFAOYSA-N
MW176.98 g/mol
LogP1.38
Rot. Bonds

About 5-bromo-4-fluoropyrimidine

5-bromo-4-fluoropyrimidine (PubChem CID 54126891) has the molecular formula C4H2BrFN2 and a molecular weight of 176.98 g/mol. Its IUPAC name is 5-bromo-4-fluoropyrimidine.

Molecular Properties

Compound Name5-bromo-4-fluoropyrimidine
PubChem CID54126891
Molecular FormulaC4H2BrFN2
Molecular Weight176.98 g/mol
Exact Mass175.94
IUPAC Name5-bromo-4-fluoropyrimidine
SMILESFc1ncncc1Br
InChIInChI=1S/C4H2BrFN2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyJANBRLKWZSDCOQ-UHFFFAOYSA-N
XLogP1.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.98
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoropyrimidine?
The IUPAC name of 5-bromo-4-fluoropyrimidine (CID 54126891) is 5-bromo-4-fluoropyrimidine.
What is the SMILES notation for 5-bromo-4-fluoropyrimidine?
The canonical SMILES for 5-bromo-4-fluoropyrimidine is Fc1ncncc1Br.
What is the InChIKey of 5-bromo-4-fluoropyrimidine?
The InChIKey is JANBRLKWZSDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrFN2/c5-3-1-7-2-8-4(3)6/h1-2H.
What are the key properties of 5-bromo-4-fluoropyrimidine?
5-bromo-4-fluoropyrimidine has a molecular weight of 176.98 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoropyrimidine is sourced from PubChem (CID 54126891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).