[4-(4-fluorophenyl)pyrimidin-5-yl]methanol

C11H9FN2O — CID 46941732

IUPAC[4-(4-fluorophenyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-10-3-1-8(2-4-10)11-9(6-15)5-13-7-14-11/h1-5,7,15H,6H2
InChIKeyJFYSTPSVHPZBHE-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.77
Rot. Bonds2

About [4-(4-fluorophenyl)pyrimidin-5-yl]methanol

[4-(4-fluorophenyl)pyrimidin-5-yl]methanol (PubChem CID 46941732) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is [4-(4-fluorophenyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)pyrimidin-5-yl]methanol
PubChem CID46941732
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name[4-(4-fluorophenyl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-10-3-1-8(2-4-10)11-9(6-15)5-13-7-14-11/h1-5,7,15H,6H2
InChIKeyJFYSTPSVHPZBHE-UHFFFAOYSA-N
XLogP1.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)pyrimidin-5-yl]methanol (CID 46941732) is [4-(4-fluorophenyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)pyrimidin-5-yl]methanol is OCc1cncnc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)pyrimidin-5-yl]methanol?
The InChIKey is JFYSTPSVHPZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-10-3-1-8(2-4-10)11-9(6-15)5-13-7-14-11/h1-5,7,15H,6H2.
What are the key properties of [4-(4-fluorophenyl)pyrimidin-5-yl]methanol?
[4-(4-fluorophenyl)pyrimidin-5-yl]methanol has a molecular weight of 204.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 46941732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).