(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol

C13H9FN2OS — CID 56711413

IUPAC(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
SMILESOCc1cc(-c2ncnc3sccc23)ccc1F
InChIInChI=1S/C13H9FN2OS/c14-11-2-1-8(5-9(11)6-17)12-10-3-4-18-13(10)16-7-15-12/h1-5,7,17H,6H2
InChIKeyIVFNJFILCQXZML-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.99
Rot. Bonds2

About (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol

(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol (PubChem CID 56711413) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
PubChem CID56711413
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
SMILESOCc1cc(-c2ncnc3sccc23)ccc1F
InChIInChI=1S/C13H9FN2OS/c14-11-2-1-8(5-9(11)6-17)12-10-3-4-18-13(10)16-7-15-12/h1-5,7,17H,6H2
InChIKeyIVFNJFILCQXZML-UHFFFAOYSA-N
XLogP2.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The IUPAC name of (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol (CID 56711413) is (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol.
What is the SMILES notation for (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The canonical SMILES for (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol is OCc1cc(-c2ncnc3sccc23)ccc1F.
What is the InChIKey of (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
The InChIKey is IVFNJFILCQXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-11-2-1-8(5-9(11)6-17)12-10-3-4-18-13(10)16-7-15-12/h1-5,7,17H,6H2.
What are the key properties of (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol?
(2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol has a molecular weight of 260.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol is sourced from PubChem (CID 56711413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).