4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine

C13H10BrCl2FN2 — CID 106763568

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C13H10BrCl2FN2/c1-6(2)13-18-9(5-10(15)19-13)7-3-4-8(14)11(16)12(7)17/h3-6H,1-2H3
InChIKeyBHYDRVNGVBFNKM-UHFFFAOYSA-N
MW364.05 g/mol
LogP5.48
Rot. Bonds2

About 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine

4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine (PubChem CID 106763568) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
PubChem CID106763568
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C13H10BrCl2FN2/c1-6(2)13-18-9(5-10(15)19-13)7-3-4-8(14)11(16)12(7)17/h3-6H,1-2H3
InChIKeyBHYDRVNGVBFNKM-UHFFFAOYSA-N
XLogP5.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.05
LogP ≤ 55.48
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 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine (CID 106763568) is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(-c2ccc(Br)c(Cl)c2F)n1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine?
The InChIKey is BHYDRVNGVBFNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c1-6(2)13-18-9(5-10(15)19-13)7-3-4-8(14)11(16)12(7)17/h3-6H,1-2H3.
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine?
4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine has a molecular weight of 364.05 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 106763568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).