5-bromo-2-chloro-4-fluoropyrimidine

C4HBrClFN2 — CID 54440255

IUPAC5-bromo-2-chloro-4-fluoropyrimidine
SMILESFc1nc(Cl)ncc1Br
InChIInChI=1S/C4HBrClFN2/c5-2-1-8-4(6)9-3(2)7/h1H
InChIKeyXMPFIECJFSRORO-UHFFFAOYSA-N
MW211.42 g/mol
LogP2.03
Rot. Bonds

About 5-bromo-2-chloro-4-fluoropyrimidine

5-bromo-2-chloro-4-fluoropyrimidine (PubChem CID 54440255) has the molecular formula C4HBrClFN2 and a molecular weight of 211.42 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-fluoropyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-fluoropyrimidine
PubChem CID54440255
Molecular FormulaC4HBrClFN2
Molecular Weight211.42 g/mol
Exact Mass209.90
IUPAC Name5-bromo-2-chloro-4-fluoropyrimidine
SMILESFc1nc(Cl)ncc1Br
InChIInChI=1S/C4HBrClFN2/c5-2-1-8-4(6)9-3(2)7/h1H
InChIKeyXMPFIECJFSRORO-UHFFFAOYSA-N
XLogP2.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-fluoropyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-fluoropyrimidine (CID 54440255) is 5-bromo-2-chloro-4-fluoropyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-fluoropyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-fluoropyrimidine is Fc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-fluoropyrimidine?
The InChIKey is XMPFIECJFSRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClFN2/c5-2-1-8-4(6)9-3(2)7/h1H.
What are the key properties of 5-bromo-2-chloro-4-fluoropyrimidine?
5-bromo-2-chloro-4-fluoropyrimidine has a molecular weight of 211.42 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-fluoropyrimidine is sourced from PubChem (CID 54440255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).