2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol

C16H10F2N2O3 — CID 163582211

IUPAC2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol
SMILESOc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F
InChIInChI=1S/C16H10F2N2O3/c17-11-5-4-9(8-13(11)22)23-14-6-7-19-16(20-14)10-2-1-3-12(21)15(10)18/h1-8,21-22H
InChIKeyGIMWXEXCFHYGAH-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.63
Rot. Bonds3

About 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol

2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol (PubChem CID 163582211) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol
PubChem CID163582211
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol
SMILESOc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F
InChIInChI=1S/C16H10F2N2O3/c17-11-5-4-9(8-13(11)22)23-14-6-7-19-16(20-14)10-2-1-3-12(21)15(10)18/h1-8,21-22H
InChIKeyGIMWXEXCFHYGAH-UHFFFAOYSA-N
XLogP3.63
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol (CID 163582211) is 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol is Oc1cc(Oc2ccnc(-c3cccc(O)c3F)n2)ccc1F.
What is the InChIKey of 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol?
The InChIKey is GIMWXEXCFHYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-11-5-4-9(8-13(11)22)23-14-6-7-19-16(20-14)10-2-1-3-12(21)15(10)18/h1-8,21-22H.
What are the key properties of 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol?
2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol has a molecular weight of 316.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 163582211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).