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Structure

5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS
38076-79-8
Catalog Number
ACM38076798
Category
Pyridines
Molecular Weight
134.14
Molecular Formula
C7H6N2O

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Specification

Synonyms
3-Pyridinecarbonitrile, 1,2-dihydro-5-methyl-2-oxo-
What is the molecular formula of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The molecular formula is C7H6N2O.

What is the molecular weight of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The molecular weight is 134.14 g/mol.

What is the IUPAC name of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The IUPAC name is 5-methyl-2-oxo-1H-pyridine-3-carbonitrile.

What is the InChIKey of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The InChIKey is GKYJTSJLGDBJKC-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The canonical SMILES is CC1=CNC(=O)C(=C1)C#N.

What is the XLogP3-AA value of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The XLogP3-AA value is 0.1.

How many hydrogen bond donor counts are there in 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

There is 1 hydrogen bond donor count.

How many rotatable bond counts are there in 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

There are 0 rotatable bond counts.

What is the topological polar surface area of 5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile?

The topological polar surface area is 52.9 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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