2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine

C25H19BrN2 — CID 123270684

IUPAC2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
SMILESCc1cccc(C2(c3cccc(Br)n3)c3ccccc3Cc3ccccc32)n1
InChIInChI=1S/C25H19BrN2/c1-17-8-6-13-22(27-17)25(23-14-7-15-24(26)28-23)20-11-4-2-9-18(20)16-19-10-3-5-12-21(19)25/h2-15H,16H2,1H3
InChIKeySRAFFSMWJAZLOA-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.83
Rot. Bonds2

About 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine

2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine (PubChem CID 123270684) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
PubChem CID123270684
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
SMILESCc1cccc(C2(c3cccc(Br)n3)c3ccccc3Cc3ccccc32)n1
InChIInChI=1S/C25H19BrN2/c1-17-8-6-13-22(27-17)25(23-14-7-15-24(26)28-23)20-11-4-2-9-18(20)16-19-10-3-5-12-21(19)25/h2-15H,16H2,1H3
InChIKeySRAFFSMWJAZLOA-UHFFFAOYSA-N
XLogP5.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine?
The IUPAC name of 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine (CID 123270684) is 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine?
The canonical SMILES for 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine is Cc1cccc(C2(c3cccc(Br)n3)c3ccccc3Cc3ccccc32)n1.
What is the InChIKey of 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine?
The InChIKey is SRAFFSMWJAZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2/c1-17-8-6-13-22(27-17)25(23-14-7-15-24(26)28-23)20-11-4-2-9-18(20)16-19-10-3-5-12-21(19)25/h2-15H,16H2,1H3.
What are the key properties of 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine?
2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine has a molecular weight of 427.35 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[9-(6-methyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine is sourced from PubChem (CID 123270684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).