2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine

C23H19BrN4O — CID 87579231

IUPAC2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESCOc1cccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C23H19BrN4O/c1-29-22-11-3-9-20(28-22)23(17-6-4-12-25-15-17,18-7-5-13-26-16-18)14-19-8-2-10-21(24)27-19/h2-13,15-16H,14H2,1H3
InChIKeyXBRROIBCIJONMF-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.61
Rot. Bonds6

About 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine

2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine (PubChem CID 87579231) has the molecular formula C23H19BrN4O and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine
PubChem CID87579231
Molecular FormulaC23H19BrN4O
Molecular Weight447.34 g/mol
Exact Mass446.07
IUPAC Name2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESCOc1cccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C23H19BrN4O/c1-29-22-11-3-9-20(28-22)23(17-6-4-12-25-15-17,18-7-5-13-26-16-18)14-19-8-2-10-21(24)27-19/h2-13,15-16H,14H2,1H3
InChIKeyXBRROIBCIJONMF-UHFFFAOYSA-N
XLogP4.61
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine?
The IUPAC name of 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine (CID 87579231) is 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine is COc1cccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine?
The InChIKey is XBRROIBCIJONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O/c1-29-22-11-3-9-20(28-22)23(17-6-4-12-25-15-17,18-7-5-13-26-16-18)14-19-8-2-10-21(24)27-19/h2-13,15-16H,14H2,1H3.
What are the key properties of 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine?
2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine has a molecular weight of 447.34 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridine is sourced from PubChem (CID 87579231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).