5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

C27H19BrClN5 — CID 141314466

IUPAC5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2c(-c3ccc(Cl)cn3)nc(-c3ccccn3)c(Br)c2-c2cccc(C)n2)nc1
InChIInChI=1S/C27H19BrClN5/c1-16-9-11-19(31-14-16)24-23(20-8-5-6-17(2)33-20)25(28)27(21-7-3-4-13-30-21)34-26(24)22-12-10-18(29)15-32-22/h3-15H,1-2H3
InChIKeyXSSHXIUPBJSQQN-UHFFFAOYSA-N
MW528.84 g/mol
LogP7.36
Rot. Bonds4

About 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (PubChem CID 141314466) has the molecular formula C27H19BrClN5 and a molecular weight of 528.84 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
PubChem CID141314466
Molecular FormulaC27H19BrClN5
Molecular Weight528.84 g/mol
Exact Mass527.05
IUPAC Name5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2c(-c3ccc(Cl)cn3)nc(-c3ccccn3)c(Br)c2-c2cccc(C)n2)nc1
InChIInChI=1S/C27H19BrClN5/c1-16-9-11-19(31-14-16)24-23(20-8-5-6-17(2)33-20)25(28)27(21-7-3-4-13-30-21)34-26(24)22-12-10-18(29)15-32-22/h3-15H,1-2H3
InChIKeyXSSHXIUPBJSQQN-UHFFFAOYSA-N
XLogP7.36
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.84
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-Bromo-3-pyridinyl)methyl]piperidin-4-ylidene]-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10435300
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
4-Chloro-2-pyridin-2-yl-6-pyridin-3-ylpyridine
CID 162644969
6',6''-Di(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine
CID 11983112
2,3,4,5-Tetrapyridin-2-ylpyridine
CID 22045955
Quinquepyridine
CID 69500772
4'-Chloroterpyridine
CID 70127087
4-(6-Bromo-3-pyridinyl)-2,6-dipyridin-2-ylpyridine
CID 90918546
3,4-Dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine
CID 91249315
4-(4-Bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 129294494
2-Pyridin-2-yl-3-[3-[3-(3-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 129652270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (CID 141314466) is 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is Cc1ccc(-c2c(-c3ccc(Cl)cn3)nc(-c3ccccn3)c(Br)c2-c2cccc(C)n2)nc1.
What is the InChIKey of 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The InChIKey is XSSHXIUPBJSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrClN5/c1-16-9-11-19(31-14-16)24-23(20-8-5-6-17(2)33-20)25(28)27(21-7-3-4-13-30-21)34-26(24)22-12-10-18(29)15-32-22/h3-15H,1-2H3.
What are the key properties of 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine has a molecular weight of 528.84 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 141314466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).