2-Bromo-beta-oxo-3-pyridinepropanenitrile

• CAS: 887593-99-9
• Catalog Number: ACM887593999
• Category: Bromine Series
• Molecular Weight: 225.04
• Molecular Formula: C8H5BrN2O
• Synonyms: 3-(2-BROMO-PYRIDIN-3-YL)-3-OXO-PROPIONITRILE;2-BROMO-BETA-OXO-3-PYRIDINEPROPANENITRILE
• IUPAC Name: 3-(2-bromopyridin-3-yl)-3-oxopropanenitrile
• Canonical SMILES: C1=CC(=C(N=C1)Br)C(=O)CC#N
• InChI Key: CPEWMXIVGMLEAQ-UHFFFAOYSA-N
• Boiling Point: 408.545ºC at 760 mmHg
• Flash Point: 200.881ºC
• 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 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

The molecular formula of 2-Bromo-beta-oxo-3-pyridinepropanenitrile is C8H5BrN2O.

What is the molecular weight of 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

The molecular weight of 2-Bromo-beta-oxo-3-pyridinepropanenitrile is 225.04 g/mol.

When was 2-Bromo-beta-oxo-3-pyridinepropanenitrile created?

2-Bromo-beta-oxo-3-pyridinepropanenitrile was created on October 30, 2011.

What is the IUPAC name of 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

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

What is the InChIKey of 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

The InChIKey of 2-Bromo-beta-oxo-3-pyridinepropanenitrile is CPEWMXIVGMLEAQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

The Canonical SMILES of 2-Bromo-beta-oxo-3-pyridinepropanenitrile is C1=CC(=C(N=C1)Br)C(=O)CC#N.

How many hydrogen bond acceptor counts does 2-Bromo-beta-oxo-3-pyridinepropanenitrile have?

2-Bromo-beta-oxo-3-pyridinepropanenitrile has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Bromo-beta-oxo-3-pyridinepropanenitrile?

The topological polar surface area of 2-Bromo-beta-oxo-3-pyridinepropanenitrile is 53.8 Ų.

Does 2-Bromo-beta-oxo-3-pyridinepropanenitrile have any defined atom stereocenter count?

No, 2-Bromo-beta-oxo-3-pyridinepropanenitrile does not have any defined atom stereocenter count.

Is 2-Bromo-beta-oxo-3-pyridinepropanenitrile considered as a canonicalized compound?

Yes, 2-Bromo-beta-oxo-3-pyridinepropanenitrile is considered as a canonicalized compound.