2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile

C₃₀H₁₇BrN₄ — CID 142753936

About 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile

2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile (PubChem CID 142753936) has the molecular formula C₃₀H₁₇BrN₄ and a molecular weight of 513.40 g/mol. Its IUPAC name is 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
• PubChem CID: 142753936
• Molecular Formula: C₃₀H₁₇BrN₄
• Molecular Weight: 513.40 g/mol
• Exact Mass: 512.06
• IUPAC Name: 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
• SMILES: N#Cc1cc(Br)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
• InChI: InChI=1S/C30H17BrN4/c31-30-15-19(17-32)29(18-33-30)35-27-12-6-3-9-23(27)24-16-20(13-14-28(24)35)34-25-10-4-1-7-21(25)22-8-2-5-11-26(22)34/h1-16,18H
• InChIKey: SLSCOCGXTXZHJP-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 46.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.40
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?

The IUPAC name of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile (CID 142753936) is 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile.

What is the SMILES notation for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?

The canonical SMILES for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile is N#Cc1cc(Br)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.

What is the InChIKey of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?

The InChIKey is SLSCOCGXTXZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrN4/c31-30-15-19(17-32)29(18-33-30)35-27-12-6-3-9-23(27)24-16-20(13-14-28(24)35)34-25-10-4-1-7-21(25)22-8-2-5-11-26(22)34/h1-16,18H.

What are the key properties of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?

2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile has a molecular weight of 513.40 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 142753936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142753936 — identifiers, structure, computed properties (public domain)

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