2-(5-fluorofuran-3-yl)pyrimidine

C8H5FN2O — CID 135122289

IUPAC2-(5-fluorofuran-3-yl)pyrimidine
SMILESFc1cc(-c2ncccn2)co1
InChIInChI=1S/C8H5FN2O/c9-7-4-6(5-12-7)8-10-2-1-3-11-8/h1-5H
InChIKeyOERVRJFDNFRUMD-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.88
Rot. Bonds1

About 2-(5-fluorofuran-3-yl)pyrimidine

2-(5-fluorofuran-3-yl)pyrimidine (PubChem CID 135122289) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-(5-fluorofuran-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(5-fluorofuran-3-yl)pyrimidine
PubChem CID135122289
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-(5-fluorofuran-3-yl)pyrimidine
SMILESFc1cc(-c2ncccn2)co1
InChIInChI=1S/C8H5FN2O/c9-7-4-6(5-12-7)8-10-2-1-3-11-8/h1-5H
InChIKeyOERVRJFDNFRUMD-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorofuran-3-yl)pyrimidine?
The IUPAC name of 2-(5-fluorofuran-3-yl)pyrimidine (CID 135122289) is 2-(5-fluorofuran-3-yl)pyrimidine.
What is the SMILES notation for 2-(5-fluorofuran-3-yl)pyrimidine?
The canonical SMILES for 2-(5-fluorofuran-3-yl)pyrimidine is Fc1cc(-c2ncccn2)co1.
What is the InChIKey of 2-(5-fluorofuran-3-yl)pyrimidine?
The InChIKey is OERVRJFDNFRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-7-4-6(5-12-7)8-10-2-1-3-11-8/h1-5H.
What are the key properties of 2-(5-fluorofuran-3-yl)pyrimidine?
2-(5-fluorofuran-3-yl)pyrimidine has a molecular weight of 164.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorofuran-3-yl)pyrimidine is sourced from PubChem (CID 135122289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).