2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine

C24H18BrN3 — CID 140777525

IUPAC2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine
SMILESCc1cc(-c2ncc(-c3cccnc3)cc2C=Cc2ccccc2)cnc1Br
InChIInChI=1S/C24H18BrN3/c1-17-12-22(16-28-24(17)25)23-19(10-9-18-6-3-2-4-7-18)13-21(15-27-23)20-8-5-11-26-14-20/h2-16H,1H3
InChIKeyFHPGAULWSKYLAO-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.45
Rot. Bonds4

About 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine

2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine (PubChem CID 140777525) has the molecular formula C24H18BrN3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine
PubChem CID140777525
Molecular FormulaC24H18BrN3
Molecular Weight428.33 g/mol
Exact Mass427.07
IUPAC Name2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine
SMILESCc1cc(-c2ncc(-c3cccnc3)cc2C=Cc2ccccc2)cnc1Br
InChIInChI=1S/C24H18BrN3/c1-17-12-22(16-28-24(17)25)23-19(10-9-18-6-3-2-4-7-18)13-21(15-27-23)20-8-5-11-26-14-20/h2-16H,1H3
InChIKeyFHPGAULWSKYLAO-UHFFFAOYSA-N
XLogP6.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine?
The IUPAC name of 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine (CID 140777525) is 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine is Cc1cc(-c2ncc(-c3cccnc3)cc2C=Cc2ccccc2)cnc1Br.
What is the InChIKey of 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine?
The InChIKey is FHPGAULWSKYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3/c1-17-12-22(16-28-24(17)25)23-19(10-9-18-6-3-2-4-7-18)13-21(15-27-23)20-8-5-11-26-14-20/h2-16H,1H3.
What are the key properties of 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine?
2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine has a molecular weight of 428.33 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine is sourced from PubChem (CID 140777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).