5-chloro-4-dibenzofuran-2-yloxypyrimidine

C16H9ClN2O2 — CID 166218206

IUPAC5-chloro-4-dibenzofuran-2-yloxypyrimidine
SMILESClc1cncnc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H9ClN2O2/c17-13-8-18-9-19-16(13)20-10-5-6-15-12(7-10)11-3-1-2-4-14(11)21-15/h1-9H
InChIKeyJVIGWRZWFIOZGI-UHFFFAOYSA-N
MW296.71 g/mol
LogP4.82
Rot. Bonds2

About 5-chloro-4-dibenzofuran-2-yloxypyrimidine

5-chloro-4-dibenzofuran-2-yloxypyrimidine (PubChem CID 166218206) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 5-chloro-4-dibenzofuran-2-yloxypyrimidine.

Molecular Properties

Compound Name5-chloro-4-dibenzofuran-2-yloxypyrimidine
PubChem CID166218206
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name5-chloro-4-dibenzofuran-2-yloxypyrimidine
SMILESClc1cncnc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H9ClN2O2/c17-13-8-18-9-19-16(13)20-10-5-6-15-12(7-10)11-3-1-2-4-14(11)21-15/h1-9H
InChIKeyJVIGWRZWFIOZGI-UHFFFAOYSA-N
XLogP4.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-dibenzofuran-2-yloxypyrimidine?
The IUPAC name of 5-chloro-4-dibenzofuran-2-yloxypyrimidine (CID 166218206) is 5-chloro-4-dibenzofuran-2-yloxypyrimidine.
What is the SMILES notation for 5-chloro-4-dibenzofuran-2-yloxypyrimidine?
The canonical SMILES for 5-chloro-4-dibenzofuran-2-yloxypyrimidine is Clc1cncnc1Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 5-chloro-4-dibenzofuran-2-yloxypyrimidine?
The InChIKey is JVIGWRZWFIOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-13-8-18-9-19-16(13)20-10-5-6-15-12(7-10)11-3-1-2-4-14(11)21-15/h1-9H.
What are the key properties of 5-chloro-4-dibenzofuran-2-yloxypyrimidine?
5-chloro-4-dibenzofuran-2-yloxypyrimidine has a molecular weight of 296.71 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-dibenzofuran-2-yloxypyrimidine is sourced from PubChem (CID 166218206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).