[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol

C11H9FN2O2 — CID 175405451

IUPAC[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol
SMILESOC(O)c1ccnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-13-6-5-9(14-10)11(15)16/h1-6,11,15-16H
InChIKeyLMMCADNCMUMSED-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.27
Rot. Bonds2

About [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol

[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol (PubChem CID 175405451) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol
PubChem CID175405451
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol
SMILESOC(O)c1ccnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-13-6-5-9(14-10)11(15)16/h1-6,11,15-16H
InChIKeyLMMCADNCMUMSED-UHFFFAOYSA-N
XLogP1.27
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol?
The IUPAC name of [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol (CID 175405451) is [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol.
What is the SMILES notation for [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol?
The canonical SMILES for [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol is OC(O)c1ccnc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol?
The InChIKey is LMMCADNCMUMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)10-13-6-5-9(14-10)11(15)16/h1-6,11,15-16H.
What are the key properties of [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol?
[2-(4-fluorophenyl)pyrimidin-4-yl]methanediol has a molecular weight of 220.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrimidin-4-yl]methanediol is sourced from PubChem (CID 175405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).