4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine

C23H14BrN11 — CID 58260766

IUPAC4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4nn[nH]n4)n3)nc(-c3cccc(-c4nn[nH]n4)n3)c2)cc1
InChIInChI=1S/C23H14BrN11/c24-15-9-7-13(8-10-15)14-11-20(16-3-1-5-18(25-16)22-28-32-33-29-22)27-21(12-14)17-4-2-6-19(26-17)23-30-34-35-31-23/h1-12H,(H,28,29,32,33)(H,30,31,34,35)
InChIKeyLIZDGAHIWUOKEW-UHFFFAOYSA-N
MW524.35 g/mol
LogP4.00
Rot. Bonds5

About 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine

4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine (PubChem CID 58260766) has the molecular formula C23H14BrN11 and a molecular weight of 524.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine
PubChem CID58260766
Molecular FormulaC23H14BrN11
Molecular Weight524.35 g/mol
Exact Mass523.06
IUPAC Name4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4nn[nH]n4)n3)nc(-c3cccc(-c4nn[nH]n4)n3)c2)cc1
InChIInChI=1S/C23H14BrN11/c24-15-9-7-13(8-10-15)14-11-20(16-3-1-5-18(25-16)22-28-32-33-29-22)27-21(12-14)17-4-2-6-19(26-17)23-30-34-35-31-23/h1-12H,(H,28,29,32,33)(H,30,31,34,35)
InChIKeyLIZDGAHIWUOKEW-UHFFFAOYSA-N
XLogP4.00
TPSA147.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine (CID 58260766) is 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine is Brc1ccc(-c2cc(-c3cccc(-c4nn[nH]n4)n3)nc(-c3cccc(-c4nn[nH]n4)n3)c2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine?
The InChIKey is LIZDGAHIWUOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN11/c24-15-9-7-13(8-10-15)14-11-20(16-3-1-5-18(25-16)22-28-32-33-29-22)27-21(12-14)17-4-2-6-19(26-17)23-30-34-35-31-23/h1-12H,(H,28,29,32,33)(H,30,31,34,35).
What are the key properties of 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine?
4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine has a molecular weight of 524.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 58260766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).