[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol

C11H8F2N2O2 — CID 113387914

IUPAC[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2O2/c12-9-2-1-8(3-10(9)13)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyCXCCIYDGABMIPP-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.04
Rot. Bonds3

About [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol

[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol (PubChem CID 113387914) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol
PubChem CID113387914
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol
SMILESOCc1cnc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C11H8F2N2O2/c12-9-2-1-8(3-10(9)13)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2
InChIKeyCXCCIYDGABMIPP-UHFFFAOYSA-N
XLogP2.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol (CID 113387914) is [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol is OCc1cnc(Oc2ccc(F)c(F)c2)nc1.
What is the InChIKey of [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol?
The InChIKey is CXCCIYDGABMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-9-2-1-8(3-10(9)13)17-11-14-4-7(6-16)5-15-11/h1-5,16H,6H2.
What are the key properties of [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol?
[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol has a molecular weight of 238.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).