6-Bromo-beta-oxo-2-pyridinepropanenitrile

• CAS: 887595-07-5
• Catalog Number: ACM887595075
• Category: Bromine Series
• Molecular Weight: 225.04
• Molecular Formula: C8H5BrN2O
• Synonyms: 6-Bromo-beta-oxo-2-pyridinepropanenitrile;3-(6-Bromo-pyridin-2-yl)-3-oxo-propionitrile
• IUPAC Name: 3-(6-bromopyridin-2-yl)-3-oxopropanenitrile
• Canonical SMILES: C1=CC(=NC(=C1)Br)C(=O)CC#N
• InChI Key: KJYCVCNIFPOYLQ-UHFFFAOYSA-N
• Boiling Point: 385.395ºC at 760 mmHg
• Flash Point: 186.88ºC
• Density: 1.604g/cm³
• Exact Mass: 223.95900
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The molecular formula of 6-Bromo-beta-oxo-2-pyridinepropanenitrile is C8H5BrN2O.

What is the molecular weight of 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The molecular weight of 6-Bromo-beta-oxo-2-pyridinepropanenitrile is 225.04 g/mol.

Can you provide an IUPAC name for 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The IUPAC name for 6-Bromo-beta-oxo-2-pyridinepropanenitrile is 3-(6-bromopyridin-2-yl)-3-oxopropanenitrile.

What is the InChIKey of 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The InChIKey of 6-Bromo-beta-oxo-2-pyridinepropanenitrile is KJYCVCNIFPOYLQ-UHFFFAOYSA-N.

How many hydrogen bond donors are there in 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

There are 0 hydrogen bond donors in 6-Bromo-beta-oxo-2-pyridinepropanenitrile.

What is the XLogP3-AA value of 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The XLogP3-AA value of 6-Bromo-beta-oxo-2-pyridinepropanenitrile is 1.8.

How many hydrogen bond acceptors are there in 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

There are 3 hydrogen bond acceptors in 6-Bromo-beta-oxo-2-pyridinepropanenitrile.

What is the topological polar surface area of 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

The topological polar surface area of 6-Bromo-beta-oxo-2-pyridinepropanenitrile is 53.8 Ų.

How many rotatable bonds are there in 6-Bromo-beta-oxo-2-pyridinepropanenitrile?

There are 2 rotatable bonds in 6-Bromo-beta-oxo-2-pyridinepropanenitrile.

Is 6-Bromo-beta-oxo-2-pyridinepropanenitrile a canonicalized compound?

Yes, 6-Bromo-beta-oxo-2-pyridinepropanenitrile is a canonicalized compound.