5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine

C6H5BrClFN2 — CID 11622821

IUPAC5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ncnc(Cl)c1Br
InChIInChI=1S/C6H5BrClFN2/c1-3(9)5-4(7)6(8)11-2-10-5/h2-3H,1H3
InChIKeyNUDFMUGKKXVSFC-UHFFFAOYSA-N
MW239.47 g/mol
LogP2.92
Rot. Bonds1

About 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine

5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine (PubChem CID 11622821) has the molecular formula C6H5BrClFN2 and a molecular weight of 239.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine
PubChem CID11622821
Molecular FormulaC6H5BrClFN2
Molecular Weight239.47 g/mol
Exact Mass237.93
IUPAC Name5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine
SMILESCC(F)c1ncnc(Cl)c1Br
InChIInChI=1S/C6H5BrClFN2/c1-3(9)5-4(7)6(8)11-2-10-5/h2-3H,1H3
InChIKeyNUDFMUGKKXVSFC-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine (CID 11622821) is 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine is CC(F)c1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine?
The InChIKey is NUDFMUGKKXVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClFN2/c1-3(9)5-4(7)6(8)11-2-10-5/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine?
5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine has a molecular weight of 239.47 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(1-fluoroethyl)pyrimidine is sourced from PubChem (CID 11622821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).