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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Related Compounds

4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 55217795
2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
CID 81436237
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
CID 66313968
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
5-bromo-4,6-dichloro-2-(3-cyclopropylphenyl)pyrimidine
CID 79979983
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992

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).