1-fluoro-2-pyrimidin-5-ylethanol

C6H7FN2O — CID 174681309

IUPAC1-fluoro-2-pyrimidin-5-ylethanol
SMILESOC(F)Cc1cncnc1
InChIInChI=1S/C6H7FN2O/c7-6(10)1-5-2-8-4-9-3-5/h2-4,6,10H,1H2
InChIKeyGJMRZYIIVDKDEH-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.31
Rot. Bonds2

About 1-fluoro-2-pyrimidin-5-ylethanol

1-fluoro-2-pyrimidin-5-ylethanol (PubChem CID 174681309) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-fluoro-2-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name1-fluoro-2-pyrimidin-5-ylethanol
PubChem CID174681309
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-fluoro-2-pyrimidin-5-ylethanol
SMILESOC(F)Cc1cncnc1
InChIInChI=1S/C6H7FN2O/c7-6(10)1-5-2-8-4-9-3-5/h2-4,6,10H,1H2
InChIKeyGJMRZYIIVDKDEH-UHFFFAOYSA-N
XLogP0.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-pyrimidin-5-ylethanol?
The IUPAC name of 1-fluoro-2-pyrimidin-5-ylethanol (CID 174681309) is 1-fluoro-2-pyrimidin-5-ylethanol.
What is the SMILES notation for 1-fluoro-2-pyrimidin-5-ylethanol?
The canonical SMILES for 1-fluoro-2-pyrimidin-5-ylethanol is OC(F)Cc1cncnc1.
What is the InChIKey of 1-fluoro-2-pyrimidin-5-ylethanol?
The InChIKey is GJMRZYIIVDKDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-6(10)1-5-2-8-4-9-3-5/h2-4,6,10H,1H2.
What are the key properties of 1-fluoro-2-pyrimidin-5-ylethanol?
1-fluoro-2-pyrimidin-5-ylethanol has a molecular weight of 142.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-pyrimidin-5-ylethanol is sourced from PubChem (CID 174681309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).