6-Bromo-5-methylnicotinaldehyde

• CAS: 885167-81-7
• Catalog Number: ACM885167817
• Category: Bromine Series
• Molecular Weight: 200.034
• Molecular Formula: C₇H₆BrNO
• Synonyms: 6-Bromo-5-methylnicotinaldehyde;6-Bromo-5-methyl-3-pyridinecarboxaldehyde
• IUPAC Name: 6-bromo-5-methylpyridine-3-carbaldehyde
• Canonical SMILES: CC1=C(N=CC(=C1)C=O)Br
• InChI Key: GLUTVVKVSPUTKQ-UHFFFAOYSA-N
• Exact Mass: 198.96300
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound with PubChem CID 44754884?

The molecular formula of the compound is C7H6BrNO.

What is the molecular weight of the compound?

The molecular weight of the compound is 200.03 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 6-bromo-5-methylpyridine-3-carbaldehyde.

What is the InChIKey of the compound?

The InChIKey of the compound is GLUTVVKVSPUTKQ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.7.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 30Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

How many covalently-bonded units does the compound have?

The compound has 1 covalently-bonded unit count.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem (release 2019.01.04).