(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol

C13H9FN2O2 — CID 102924139

IUPAC(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H9FN2O2/c14-10-3-1-2-8-4-11(18-13(8)10)12(17)9-5-15-7-16-6-9/h1-7,12,17H
InChIKeyKUTBEDXBVITREB-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.44
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol

(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 102924139) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
PubChem CID102924139
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H9FN2O2/c14-10-3-1-2-8-4-11(18-13(8)10)12(17)9-5-15-7-16-6-9/h1-7,12,17H
InChIKeyKUTBEDXBVITREB-UHFFFAOYSA-N
XLogP2.44
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol (CID 102924139) is (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is KUTBEDXBVITREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-10-3-1-2-8-4-11(18-13(8)10)12(17)9-5-15-7-16-6-9/h1-7,12,17H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol?
(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol has a molecular weight of 244.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 102924139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).