2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine

C16H9BrCl2N2 — CID 115565748

IUPAC2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C16H9BrCl2N2/c17-12-8-11(6-7-13(12)18)16-20-14(9-15(19)21-16)10-4-2-1-3-5-10/h1-9H
InChIKeyULXLVAAJALBFKO-UHFFFAOYSA-N
MW380.07 g/mol
LogP5.88
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine

2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine (PubChem CID 115565748) has the molecular formula C16H9BrCl2N2 and a molecular weight of 380.07 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
PubChem CID115565748
Molecular FormulaC16H9BrCl2N2
Molecular Weight380.07 g/mol
Exact Mass377.93
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C16H9BrCl2N2/c17-12-8-11(6-7-13(12)18)16-20-14(9-15(19)21-16)10-4-2-1-3-5-10/h1-9H
InChIKeyULXLVAAJALBFKO-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.07
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine (CID 115565748) is 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine is Clc1cc(-c2ccccc2)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine?
The InChIKey is ULXLVAAJALBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2/c17-12-8-11(6-7-13(12)18)16-20-14(9-15(19)21-16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine?
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine has a molecular weight of 380.07 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine is sourced from PubChem (CID 115565748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).