2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine

C15H9ClFN3O2 — CID 133384150

IUPAC2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C15H9ClFN3O2/c16-13-6-5-12(9-19-13)22-15-18-8-7-14(20-15)21-11-3-1-10(17)2-4-11/h1-9H
InChIKeyCCXWOKXMOFLXDI-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.25
Rot. Bonds4

About 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine

2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine (PubChem CID 133384150) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
PubChem CID133384150
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C15H9ClFN3O2/c16-13-6-5-12(9-19-13)22-15-18-8-7-14(20-15)21-11-3-1-10(17)2-4-11/h1-9H
InChIKeyCCXWOKXMOFLXDI-UHFFFAOYSA-N
XLogP4.25
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133315863
2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
CID 133384156
2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine
CID 56575813
4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
CID 75512150
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-chloro-2-(4-chlorophenoxy)pyrimidine
CID 22675151
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
CID 141073183
3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]propanenitrile
CID 133370504
4-chloro-2-(4-methylphenoxy)pyrimidine
CID 22675087
4-ethoxy-2-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 167895848
4-(4-fluorophenoxy)-2-phenylsulfanylpyrimidine
CID 56575603
2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
CID 159574787

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine (CID 133384150) is 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2ccnc(Oc3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
The InChIKey is CCXWOKXMOFLXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-13-6-5-12(9-19-13)22-15-18-8-7-14(20-15)21-11-3-1-10(17)2-4-11/h1-9H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine?
2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine has a molecular weight of 317.71 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 133384150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).