2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine

C28H29BrN2 — CID 162419124

IUPAC2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine
SMILESCc1cc(-c2ccc(Br)cc2)nc(-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C28H29BrN2/c1-17-7-24(22-3-5-23(29)6-4-22)30-25(8-17)26-9-18(2)10-27(31-26)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-10,19-21H,11-16H2,1-2H3
InChIKeyZZBAVWQTOYWBKP-UHFFFAOYSA-N
MW473.46 g/mol
LogP7.66
Rot. Bonds3

About 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine

2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine (PubChem CID 162419124) has the molecular formula C28H29BrN2 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine
PubChem CID162419124
Molecular FormulaC28H29BrN2
Molecular Weight473.46 g/mol
Exact Mass472.15
IUPAC Name2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine
SMILESCc1cc(-c2ccc(Br)cc2)nc(-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C28H29BrN2/c1-17-7-24(22-3-5-23(29)6-4-22)30-25(8-17)26-9-18(2)10-27(31-26)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-10,19-21H,11-16H2,1-2H3
InChIKeyZZBAVWQTOYWBKP-UHFFFAOYSA-N
XLogP7.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
2-(4-Bromophenyl)-6-tert-butyl-4-phenylpyridine
CID 1727300
2,6-Bis(4-bromophenyl)-4-phenylpyridine
CID 1806873
4-(3-Bromophenyl)-2,6-diphenylpyridine
CID 3730816
2-(4-Bromophenyl)-6-phenylpyridine
CID 10018239
2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-6,6'-diphenyl-
CID 11711463
2,2'-Bipyridine, 4,4'-dimethyl-6,6'-diphenyl-
CID 12145856
4-(4-Bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 129294494
1-(4-Bromophenyl)-2,4,6-triphenylpyridin-1-ium;perchlorate
CID 4554826
3-Bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
CID 20822452
6'-Bromo-4-methyl-6-(4-trifluoromethylphenyl)-[2,2']bipyridinyl
CID 86615446

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine?
The IUPAC name of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine (CID 162419124) is 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine.
What is the SMILES notation for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine?
The canonical SMILES for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine is Cc1cc(-c2ccc(Br)cc2)nc(-c2cc(C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1.
What is the InChIKey of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine?
The InChIKey is ZZBAVWQTOYWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN2/c1-17-7-24(22-3-5-23(29)6-4-22)30-25(8-17)26-9-18(2)10-27(31-26)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-10,19-21H,11-16H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine?
2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine has a molecular weight of 473.46 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-methyl-2-pyridinyl]-4-methylpyridine is sourced from PubChem (CID 162419124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).