5-Bromo-2-chloro-3-cyanopyridine

• CAS: 405224-23-9
• Catalog Number: ACM405224239
• Category: Bromine Series
• Molecular Weight: 217.45
• Molecular Formula: C₆H₂BrClN₂
• Synonyms: 5-Bromo-2-chloronicotinonitrile, 405224-23-9, 5-bromo-2-chloro-3-cyanopyridine, 5-bromo-2-chloropyridine-3-carbonitrile, SBB069016, AG-F-43776, PubChem15627, ACMC-1AMN3, CTK1D5252, 5-Bromo-2-chloronicotinonitrile,, MolPort-001-758-669, ACN-S003369, ANW-29434, ZINC15021334, AKOS013153986, LS20066, MCULE-9218355456, PB22250, QC-6523, RP05055
• IUPAC Name: 5-bromo-2-chloropyridine-3-carbonitrile
• SMILES: C1=C(C(=NC=C1Br)Cl)C#N
• InChI Key: MQOHJAYYYVQBSH-UHFFFAOYSA-N
• Boiling Point: 272.677ºC at 760 mmHg
• Flash Point: 118.711ºC
• Density: 1.85g/cm³
• Exact Mass: 215.90900
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the PubChem CID for 5-Bromo-2-chloro-3-cyanopyridine?

The PubChem CID for 5-Bromo-2-chloro-3-cyanopyridine is 21948269.

What is the molecular formula of 5-Bromo-2-chloro-3-cyanopyridine?

The molecular formula of 5-Bromo-2-chloro-3-cyanopyridine is C6H2BrClN2.

What is the molecular weight of 5-Bromo-2-chloro-3-cyanopyridine?

The molecular weight of 5-Bromo-2-chloro-3-cyanopyridine is 217.45 g/mol.

When was 5-Bromo-2-chloro-3-cyanopyridine created in PubChem?

5-Bromo-2-chloro-3-cyanopyridine was created in PubChem on December 5, 2007.

What is the IUPAC Name of 5-Bromo-2-chloro-3-cyanopyridine?

The IUPAC Name of 5-Bromo-2-chloro-3-cyanopyridine is 5-bromo-2-chloropyridine-3-carbonitrile.

What is the InChIKey of 5-Bromo-2-chloro-3-cyanopyridine?

The InChIKey of 5-Bromo-2-chloro-3-cyanopyridine is MQOHJAYYYVQBSH-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Bromo-2-chloro-3-cyanopyridine?

The Canonical SMILES of 5-Bromo-2-chloro-3-cyanopyridine is C1=C(C=NC(=C1C#N)Cl)Br.

What is the CAS number of 5-Bromo-2-chloro-3-cyanopyridine?

The CAS number of 5-Bromo-2-chloro-3-cyanopyridine is 405224-23-9.

What is the European Community (EC) Number of 5-Bromo-2-chloro-3-cyanopyridine?

The European Community (EC) Number of 5-Bromo-2-chloro-3-cyanopyridine is 688-427-4.

What is the XLogP3-AA value of 5-Bromo-2-chloro-3-cyanopyridine?

The XLogP3-AA value of 5-Bromo-2-chloro-3-cyanopyridine is 2.2.

Synthetic Use

Upstream Synthesis Route 1

• 709652-82-4

• 405224-23-9

Reference: [1] Patent: WO2013/42035, 2013, A1, . Location in patent: Page/Page column 17

Upstream Synthesis Route 2

• 405224-22-8

• 405224-23-9

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 9, p. 1577 - 1580

Upstream Synthesis Route 3

• 405224-22-8

• 405224-23-9

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 8, p. 1386 - 1391
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7624 - 7643
[3] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 14, p. 4273 - 4278

Upstream Synthesis Route 4

• 405224-22-8

• 405224-23-9

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1577 - 1580

Upstream Synthesis Route 5

• 709652-82-4

• 405224-23-9

Reference: [1]Patent: WO2013/42035,2013,A1 .Location in patent: Page/Page column 17

Downstream Synthesis Route 1

• 405224-23-9

• 405224-24-0

Reference: [1]Patent: WO2007/59219,2007,A1 .Location in patent: Page/Page column 54-55

* For details of the synthesis route, please refer to the original source to ensure accuracy.