(5-fluoropyrimidin-2-yl)methanol

C5H5FN2O — CID 71699980

IUPAC(5-fluoropyrimidin-2-yl)methanol
SMILESOCc1ncc(F)cn1
InChIInChI=1S/C5H5FN2O/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
InChIKeyTXZSJRMEHFCYPZ-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.11
Rot. Bonds1

About (5-fluoropyrimidin-2-yl)methanol

(5-fluoropyrimidin-2-yl)methanol (PubChem CID 71699980) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is (5-fluoropyrimidin-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoropyrimidin-2-yl)methanol
PubChem CID71699980
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name(5-fluoropyrimidin-2-yl)methanol
SMILESOCc1ncc(F)cn1
InChIInChI=1S/C5H5FN2O/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
InChIKeyTXZSJRMEHFCYPZ-UHFFFAOYSA-N
XLogP0.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrimidin-2-yl)methanol?
The IUPAC name of (5-fluoropyrimidin-2-yl)methanol (CID 71699980) is (5-fluoropyrimidin-2-yl)methanol.
What is the SMILES notation for (5-fluoropyrimidin-2-yl)methanol?
The canonical SMILES for (5-fluoropyrimidin-2-yl)methanol is OCc1ncc(F)cn1.
What is the InChIKey of (5-fluoropyrimidin-2-yl)methanol?
The InChIKey is TXZSJRMEHFCYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2.
What are the key properties of (5-fluoropyrimidin-2-yl)methanol?
(5-fluoropyrimidin-2-yl)methanol has a molecular weight of 128.11 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrimidin-2-yl)methanol is sourced from PubChem (CID 71699980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).