2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine

C8H2BrCl2FN2O — CID 80550973

IUPAC2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2ccc(Br)o2)nc1Cl
InChIInChI=1S/C8H2BrCl2FN2O/c9-4-2-1-3(15-4)8-13-6(10)5(12)7(11)14-8/h1-2H
InChIKeyUTFORRDGFDEIKF-UHFFFAOYSA-N
MW311.93 g/mol
LogP3.94
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine

2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine (PubChem CID 80550973) has the molecular formula C8H2BrCl2FN2O and a molecular weight of 311.93 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
PubChem CID80550973
Molecular FormulaC8H2BrCl2FN2O
Molecular Weight311.93 g/mol
Exact Mass309.87
IUPAC Name2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2ccc(Br)o2)nc1Cl
InChIInChI=1S/C8H2BrCl2FN2O/c9-4-2-1-3(15-4)8-13-6(10)5(12)7(11)14-8/h1-2H
InChIKeyUTFORRDGFDEIKF-UHFFFAOYSA-N
XLogP3.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.93
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine (CID 80550973) is 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine is Fc1c(Cl)nc(-c2ccc(Br)o2)nc1Cl.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine?
The InChIKey is UTFORRDGFDEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2FN2O/c9-4-2-1-3(15-4)8-13-6(10)5(12)7(11)14-8/h1-2H.
What are the key properties of 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine?
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine has a molecular weight of 311.93 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 80550973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).