5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine

C10H2BrCl2F3N2 — CID 66314958

IUPAC5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESFc1cc(-c2nc(Cl)c(Br)c(Cl)n2)cc(F)c1F
InChIInChI=1S/C10H2BrCl2F3N2/c11-6-8(12)17-10(18-9(6)13)3-1-4(14)7(16)5(15)2-3/h1-2H
InChIKeyDPPQWWJNYNHOAB-UHFFFAOYSA-N
MW357.94 g/mol
LogP4.63
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine

5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 66314958) has the molecular formula C10H2BrCl2F3N2 and a molecular weight of 357.94 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID66314958
Molecular FormulaC10H2BrCl2F3N2
Molecular Weight357.94 g/mol
Exact Mass355.87
IUPAC Name5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESFc1cc(-c2nc(Cl)c(Br)c(Cl)n2)cc(F)c1F
InChIInChI=1S/C10H2BrCl2F3N2/c11-6-8(12)17-10(18-9(6)13)3-1-4(14)7(16)5(15)2-3/h1-2H
InChIKeyDPPQWWJNYNHOAB-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.94
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine (CID 66314958) is 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine is Fc1cc(-c2nc(Cl)c(Br)c(Cl)n2)cc(F)c1F.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is DPPQWWJNYNHOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BrCl2F3N2/c11-6-8(12)17-10(18-9(6)13)3-1-4(14)7(16)5(15)2-3/h1-2H.
What are the key properties of 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine?
5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 357.94 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 66314958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).