4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine

C10H3BrCl2F2N2O — CID 114042647

IUPAC4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
SMILESFc1cc(Oc2nc(Cl)ncc2F)c(Br)cc1Cl
InChIInChI=1S/C10H3BrCl2F2N2O/c11-4-1-5(12)6(14)2-8(4)18-9-7(15)3-16-10(13)17-9/h1-3H
InChIKeyNAEKQIIVSAIKKQ-UHFFFAOYSA-N
MW355.95 g/mol
LogP4.62
Rot. Bonds2

About 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine

4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine (PubChem CID 114042647) has the molecular formula C10H3BrCl2F2N2O and a molecular weight of 355.95 g/mol. Its IUPAC name is 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
PubChem CID114042647
Molecular FormulaC10H3BrCl2F2N2O
Molecular Weight355.95 g/mol
Exact Mass353.88
IUPAC Name4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
SMILESFc1cc(Oc2nc(Cl)ncc2F)c(Br)cc1Cl
InChIInChI=1S/C10H3BrCl2F2N2O/c11-4-1-5(12)6(14)2-8(4)18-9-7(15)3-16-10(13)17-9/h1-3H
InChIKeyNAEKQIIVSAIKKQ-UHFFFAOYSA-N
XLogP4.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
[4-(2-bromo-4-chloro-5-fluorophenoxy)pyrimidin-5-yl]methanol
CID 114215368
4-(2-bromo-4-chloro-5-fluorophenoxy)-6-chloro-1,3,5-triazin-2-amine
CID 114042895
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
5-(4-bromo-2-chloro-5-fluorophenoxy)-3,6-dichloro-1,2,4-triazine
CID 114270911
1-bromo-5-chloro-4-fluoro-2-(methylsulfanylmethoxy)benzene
CID 131020668
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
CID 103174579
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine?
The IUPAC name of 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine (CID 114042647) is 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine.
What is the SMILES notation for 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine?
The canonical SMILES for 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine is Fc1cc(Oc2nc(Cl)ncc2F)c(Br)cc1Cl.
What is the InChIKey of 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine?
The InChIKey is NAEKQIIVSAIKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl2F2N2O/c11-4-1-5(12)6(14)2-8(4)18-9-7(15)3-16-10(13)17-9/h1-3H.
What are the key properties of 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine?
4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine has a molecular weight of 355.95 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine is sourced from PubChem (CID 114042647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).