5-(2-chlorophenoxy)pyrimidine

C10H7ClN2O — CID 117231306

IUPAC5-(2-chlorophenoxy)pyrimidine
SMILESClc1ccccc1Oc1cncnc1
InChIInChI=1S/C10H7ClN2O/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H
InChIKeyKMQMLWUCCQFWNP-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.92
Rot. Bonds2

About 5-(2-chlorophenoxy)pyrimidine

5-(2-chlorophenoxy)pyrimidine (PubChem CID 117231306) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-(2-chlorophenoxy)pyrimidine
PubChem CID117231306
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name5-(2-chlorophenoxy)pyrimidine
SMILESClc1ccccc1Oc1cncnc1
InChIInChI=1S/C10H7ClN2O/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H
InChIKeyKMQMLWUCCQFWNP-UHFFFAOYSA-N
XLogP2.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)pyrimidine?
The IUPAC name of 5-(2-chlorophenoxy)pyrimidine (CID 117231306) is 5-(2-chlorophenoxy)pyrimidine.
What is the SMILES notation for 5-(2-chlorophenoxy)pyrimidine?
The canonical SMILES for 5-(2-chlorophenoxy)pyrimidine is Clc1ccccc1Oc1cncnc1.
What is the InChIKey of 5-(2-chlorophenoxy)pyrimidine?
The InChIKey is KMQMLWUCCQFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7H.
What are the key properties of 5-(2-chlorophenoxy)pyrimidine?
5-(2-chlorophenoxy)pyrimidine has a molecular weight of 206.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)pyrimidine is sourced from PubChem (CID 117231306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).