2-(3-chlorophenoxy)pyrimidine

C10H7ClN2O — CID 1211468

IUPAC2-(3-chlorophenoxy)pyrimidine
SMILESClc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H
InChIKeyRBCKMGWLMAEZKF-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.92
Rot. Bonds2

About 2-(3-chlorophenoxy)pyrimidine

2-(3-chlorophenoxy)pyrimidine (PubChem CID 1211468) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)pyrimidine
PubChem CID1211468
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-(3-chlorophenoxy)pyrimidine
SMILESClc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C10H7ClN2O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H
InChIKeyRBCKMGWLMAEZKF-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 2-(3-chlorophenoxy)pyrimidine?
The IUPAC name of 2-(3-chlorophenoxy)pyrimidine (CID 1211468) is 2-(3-chlorophenoxy)pyrimidine.
What is the SMILES notation for 2-(3-chlorophenoxy)pyrimidine?
The canonical SMILES for 2-(3-chlorophenoxy)pyrimidine is Clc1cccc(Oc2ncccn2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)pyrimidine?
The InChIKey is RBCKMGWLMAEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H.
What are the key properties of 2-(3-chlorophenoxy)pyrimidine?
2-(3-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 2-(3-chlorophenoxy)pyrimidine is sourced from PubChem (CID 1211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).