(2,5-difluorophenyl)-pyrimidin-5-ylmethanol

C11H8F2N2O — CID 23114732

IUPAC(2,5-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyBFLUHTAYBBRYAY-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.84
Rot. Bonds2

About (2,5-difluorophenyl)-pyrimidin-5-ylmethanol

(2,5-difluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 23114732) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is (2,5-difluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID23114732
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name(2,5-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(F)ccc1F
InChIInChI=1S/C11H8F2N2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyBFLUHTAYBBRYAY-UHFFFAOYSA-N
XLogP1.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2,5-difluorophenyl)-pyrimidin-5-ylmethanol (CID 23114732) is (2,5-difluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2,5-difluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2,5-difluorophenyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is BFLUHTAYBBRYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H.
What are the key properties of (2,5-difluorophenyl)-pyrimidin-5-ylmethanol?
(2,5-difluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 222.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 23114732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).