5-Bromo-2-cyano-3-chloropyridine

• CAS: 945557-04-0
• Catalog Number: ACM945557040
• Category: Bromine Series
• Molecular Weight: 217.45
• Molecular Formula: C₆H₂BrClN₂
• Synonyms: 5-Bromo-3-chloro-2-cyanopyridine, 5-Bromo-3-chloropicolinonitrile
• IUPAC Name: 5-bromo-3-chloropyridine-2-carbonitrile
• Canonical SMILES: C1=C(C(=NC=C1Br)C#N)Cl
• InChI Key: SIYPZKHSXDFDRA-UHFFFAOYSA-N
• Boiling Point: 289ºC at 760 mmHg
• Flash Point: 128.6ºC
• Density: 1.85g/cm³
• Exact Mass: 215.90900
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the PubChem CID of the compound 5-Bromo-2-cyano-3-chloropyridine?

PubChem CID 45382148.

What is the molecular formula of 5-Bromo-2-cyano-3-chloropyridine?

The molecular formula is C6H2BrClN2.

What are the synonyms of 5-Bromo-2-cyano-3-chloropyridine?

The synonyms include 945557-04-0, 5-Bromo-3-chloropyridine-2-carbonitrile, 5-Bromo-3-chloropicolinonitrile, and 5-Bromo-3-chloro-2-cyanopyridine.

What is the molecular weight of 5-Bromo-2-cyano-3-chloropyridine?

The molecular weight is 217.45 g/mol.

When was 5-Bromo-2-cyano-3-chloropyridine created in PubChem?

It was created on May 19, 2010.

What is the IUPAC name of 5-Bromo-2-cyano-3-chloropyridine?

The IUPAC name is 5-bromo-3-chloropyridine-2-carbonitrile.

What is the InChI of 5-Bromo-2-cyano-3-chloropyridine?

The InChI is InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H.

What is the InChIKey of 5-Bromo-2-cyano-3-chloropyridine?

The InChIKey is SIYPZKHSXDFDRA-UHFFFAOYSA-N.

What is the canonical SMILES representation of 5-Bromo-2-cyano-3-chloropyridine?

The canonical SMILES representation is C1=C(C=NC(=C1Cl)C#N)Br.

What is the XLogP3-AA value of 5-Bromo-2-cyano-3-chloropyridine?

The XLogP3-AA value is 2.2.