2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine

C30H18Br2N6 — CID 10841592

IUPAC2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
SMILESBrc1cc(-c2ccnc(-c3cc(-c4ccnc(-c5cc(-c6ccnc(Br)c6)ccn5)c4)ccn3)c2)ccn1
InChIInChI=1S/C30H18Br2N6/c31-29-17-23(5-11-37-29)21-3-9-35-27(15-21)25-13-19(1-7-33-25)20-2-8-34-26(14-20)28-16-22(4-10-36-28)24-6-12-38-30(32)18-24/h1-18H
InChIKeySQUXRDINYIFORR-UHFFFAOYSA-N
MW622.32 g/mol
LogP7.92
Rot. Bonds5

About 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine

2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine (PubChem CID 10841592) has the molecular formula C30H18Br2N6 and a molecular weight of 622.32 g/mol. Its IUPAC name is 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
PubChem CID10841592
Molecular FormulaC30H18Br2N6
Molecular Weight622.32 g/mol
Exact Mass620.00
IUPAC Name2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
SMILESBrc1cc(-c2ccnc(-c3cc(-c4ccnc(-c5cc(-c6ccnc(Br)c6)ccn5)c4)ccn3)c2)ccn1
InChIInChI=1S/C30H18Br2N6/c31-29-17-23(5-11-37-29)21-3-9-35-27(15-21)25-13-19(1-7-33-25)20-2-8-34-26(14-20)28-16-22(4-10-36-28)24-6-12-38-30(32)18-24/h1-18H
InChIKeySQUXRDINYIFORR-UHFFFAOYSA-N
XLogP7.92
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.32
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine?
The IUPAC name of 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine (CID 10841592) is 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine is Brc1cc(-c2ccnc(-c3cc(-c4ccnc(-c5cc(-c6ccnc(Br)c6)ccn5)c4)ccn3)c2)ccn1.
What is the InChIKey of 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine?
The InChIKey is SQUXRDINYIFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2N6/c31-29-17-23(5-11-37-29)21-3-9-35-27(15-21)25-13-19(1-7-33-25)20-2-8-34-26(14-20)28-16-22(4-10-36-28)24-6-12-38-30(32)18-24/h1-18H.
What are the key properties of 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine?
2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine has a molecular weight of 622.32 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine is sourced from PubChem (CID 10841592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).