2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine

C20H15Br2N — CID 175208899

IUPAC2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine
SMILESCc1cccc(C(=Cc2ccc(Br)cc2)c2ccc(Br)cc2)n1
InChIInChI=1S/C20H15Br2N/c1-14-3-2-4-20(23-14)19(16-7-11-18(22)12-8-16)13-15-5-9-17(21)10-6-15/h2-13H,1H3
InChIKeyRAWMNRFDUYYIDO-UHFFFAOYSA-N
MW429.16 g/mol
LogP6.50
Rot. Bonds3

About 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine

2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine (PubChem CID 175208899) has the molecular formula C20H15Br2N and a molecular weight of 429.16 g/mol. Its IUPAC name is 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine
PubChem CID175208899
Molecular FormulaC20H15Br2N
Molecular Weight429.16 g/mol
Exact Mass426.96
IUPAC Name2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine
SMILESCc1cccc(C(=Cc2ccc(Br)cc2)c2ccc(Br)cc2)n1
InChIInChI=1S/C20H15Br2N/c1-14-3-2-4-20(23-14)19(16-7-11-18(22)12-8-16)13-15-5-9-17(21)10-6-15/h2-13H,1H3
InChIKeyRAWMNRFDUYYIDO-UHFFFAOYSA-N
XLogP6.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.16
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine?
The IUPAC name of 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine (CID 175208899) is 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine is Cc1cccc(C(=Cc2ccc(Br)cc2)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine?
The InChIKey is RAWMNRFDUYYIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N/c1-14-3-2-4-20(23-14)19(16-7-11-18(22)12-8-16)13-15-5-9-17(21)10-6-15/h2-13H,1H3.
What are the key properties of 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine?
2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine has a molecular weight of 429.16 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine is sourced from PubChem (CID 175208899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).