2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine

C21H13Br2N3 — CID 151888431

IUPAC2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C21H13Br2N3/c22-16-9-7-14(8-10-16)19-13-20(18-6-1-2-11-24-18)26-21(25-19)15-4-3-5-17(23)12-15/h1-13H
InChIKeySQFJAZRCFHZUJE-UHFFFAOYSA-N
MW467.16 g/mol
LogP6.40
Rot. Bonds3

About 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine

2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine (PubChem CID 151888431) has the molecular formula C21H13Br2N3 and a molecular weight of 467.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
PubChem CID151888431
Molecular FormulaC21H13Br2N3
Molecular Weight467.16 g/mol
Exact Mass464.95
IUPAC Name2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C21H13Br2N3/c22-16-9-7-14(8-10-16)19-13-20(18-6-1-2-11-24-18)26-21(25-19)15-4-3-5-17(23)12-15/h1-13H
InChIKeySQFJAZRCFHZUJE-UHFFFAOYSA-N
XLogP6.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.16
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 157457709
4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
CID 118259484

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine (CID 151888431) is 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine is Brc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine?
The InChIKey is SQFJAZRCFHZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2N3/c22-16-9-7-14(8-10-16)19-13-20(18-6-1-2-11-24-18)26-21(25-19)15-4-3-5-17(23)12-15/h1-13H.
What are the key properties of 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine?
2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine has a molecular weight of 467.16 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 151888431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).