(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol

C6H7FN2O2 — CID 134542933

IUPAC(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol
SMILESOC[C@H](O)c1ncc(F)cn1
InChIInChI=1S/C6H7FN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2/t5-/m0/s1
InChIKeySLBPHAJIIMXPMJ-YFKPBYRVSA-N
MW158.13 g/mol
LogP-0.36
Rot. Bonds2

About (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol

(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol (PubChem CID 134542933) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol
PubChem CID134542933
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol
SMILESOC[C@H](O)c1ncc(F)cn1
InChIInChI=1S/C6H7FN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2/t5-/m0/s1
InChIKeySLBPHAJIIMXPMJ-YFKPBYRVSA-N
XLogP-0.36
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol (CID 134542933) is (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol is OC[C@H](O)c1ncc(F)cn1.
What is the InChIKey of (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol?
The InChIKey is SLBPHAJIIMXPMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2/t5-/m0/s1.
What are the key properties of (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol?
(1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol has a molecular weight of 158.13 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoropyrimidin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 134542933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).