2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol

C10H6ClFN2O2 — CID 23728748

IUPAC2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol
SMILESOc1cc(F)ccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C10H6ClFN2O2/c11-9-4-10(14-5-13-9)16-8-2-1-6(12)3-7(8)15/h1-5,15H
InChIKeyWBGHCHSKZKLZDU-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.77
Rot. Bonds2

About 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol

2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol (PubChem CID 23728748) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol
PubChem CID23728748
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol
SMILESOc1cc(F)ccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C10H6ClFN2O2/c11-9-4-10(14-5-13-9)16-8-2-1-6(12)3-7(8)15/h1-5,15H
InChIKeyWBGHCHSKZKLZDU-UHFFFAOYSA-N
XLogP2.77
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol (CID 23728748) is 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol is Oc1cc(F)ccc1Oc1cc(Cl)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol?
The InChIKey is WBGHCHSKZKLZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-9-4-10(14-5-13-9)16-8-2-1-6(12)3-7(8)15/h1-5,15H.
What are the key properties of 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol?
2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol has a molecular weight of 240.62 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)oxy-5-fluorophenol is sourced from PubChem (CID 23728748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).