5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine

C15H8BrClFN3 — CID 79705937

IUPAC5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine
SMILESFc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H8BrClFN3/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)17)11-7-6-10(18)8-19-11/h1-8H
InChIKeyBOXRHFVYGKDDHW-UHFFFAOYSA-N
MW364.61 g/mol
LogP4.76
Rot. Bonds2

About 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine

5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine (PubChem CID 79705937) has the molecular formula C15H8BrClFN3 and a molecular weight of 364.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine
PubChem CID79705937
Molecular FormulaC15H8BrClFN3
Molecular Weight364.61 g/mol
Exact Mass362.96
IUPAC Name5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine
SMILESFc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H8BrClFN3/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)17)11-7-6-10(18)8-19-11/h1-8H
InChIKeyBOXRHFVYGKDDHW-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine (CID 79705937) is 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine is Fc1ccc(-c2nc(Cl)c(Br)c(-c3ccccc3)n2)nc1.
What is the InChIKey of 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine?
The InChIKey is BOXRHFVYGKDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFN3/c16-12-13(9-4-2-1-3-5-9)20-15(21-14(12)17)11-7-6-10(18)8-19-11/h1-8H.
What are the key properties of 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine?
5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine has a molecular weight of 364.61 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidine is sourced from PubChem (CID 79705937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).