2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine

C16H9BrF2N2O2 — CID 56575813

IUPAC2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3ccc(F)cc3Br)n2)cc1
InChIInChI=1S/C16H9BrF2N2O2/c17-13-9-11(19)3-6-14(13)23-16-20-8-7-15(21-16)22-12-4-1-10(18)2-5-12/h1-9H
InChIKeyCEQHVRRDZKMFSR-UHFFFAOYSA-N
MW379.16 g/mol
LogP5.10
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine

2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine (PubChem CID 56575813) has the molecular formula C16H9BrF2N2O2 and a molecular weight of 379.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine
PubChem CID56575813
Molecular FormulaC16H9BrF2N2O2
Molecular Weight379.16 g/mol
Exact Mass377.98
IUPAC Name2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ccnc(Oc3ccc(F)cc3Br)n2)cc1
InChIInChI=1S/C16H9BrF2N2O2/c17-13-9-11(19)3-6-14(13)23-16-20-8-7-15(21-16)22-12-4-1-10(18)2-5-12/h1-9H
InChIKeyCEQHVRRDZKMFSR-UHFFFAOYSA-N
XLogP5.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.16
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133315863
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834
2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133384150
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
4-(4-fluorophenoxy)-2-[3-(1,2,4-triazol-1-yl)phenoxy]pyrimidine
CID 75512150
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine (CID 56575813) is 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2ccnc(Oc3ccc(F)cc3Br)n2)cc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine?
The InChIKey is CEQHVRRDZKMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2O2/c17-13-9-11(19)3-6-14(13)23-16-20-8-7-15(21-16)22-12-4-1-10(18)2-5-12/h1-9H.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine?
2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine has a molecular weight of 379.16 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 56575813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).