2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine

C24H18Br2N2 — CID 155908936

IUPAC2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(Br)cc1-c1ncccc1C
InChIInChI=1S/C24H18Br2N2/c1-15-5-3-11-27-23(15)21-13-17(25)7-9-19(21)20-10-8-18(26)14-22(20)24-16(2)6-4-12-28-24/h3-14H,1-2H3
InChIKeySMSUPIUVHVSGOR-UHFFFAOYSA-N
MW494.23 g/mol
LogP7.62
Rot. Bonds3

About 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine

2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine (PubChem CID 155908936) has the molecular formula C24H18Br2N2 and a molecular weight of 494.23 g/mol. Its IUPAC name is 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
PubChem CID155908936
Molecular FormulaC24H18Br2N2
Molecular Weight494.23 g/mol
Exact Mass491.98
IUPAC Name2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(Br)cc1-c1ncccc1C
InChIInChI=1S/C24H18Br2N2/c1-15-5-3-11-27-23(15)21-13-17(25)7-9-19(21)20-10-8-18(26)14-22(20)24-16(2)6-4-12-28-24/h3-14H,1-2H3
InChIKeySMSUPIUVHVSGOR-UHFFFAOYSA-N
XLogP7.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.23
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6834
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1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
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2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The IUPAC name of 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine (CID 155908936) is 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine.
What is the SMILES notation for 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The canonical SMILES for 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine is Cc1cccnc1-c1cc(Br)ccc1-c1ccc(Br)cc1-c1ncccc1C.
What is the InChIKey of 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
The InChIKey is SMSUPIUVHVSGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2/c1-15-5-3-11-27-23(15)21-13-17(25)7-9-19(21)20-10-8-18(26)14-22(20)24-16(2)6-4-12-28-24/h3-14H,1-2H3.
What are the key properties of 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine?
2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine has a molecular weight of 494.23 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]phenyl]-3-methylpyridine is sourced from PubChem (CID 155908936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).