5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE

CAS

98276-88-1

Catalog Number

ACM98276881

Category

Other Products

Molecular Formula

C7H8N2O3

MSDS COA Spec Sheet

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Specification

Synonyms

NSC99776, 5,6-dimethyl-3-nitro-1H-pyridin-2-one, MLS002703505, 98276-88-1, AC1L6C7F, SureCN2179544, NCIOpen2_001933, CTK5H9796, NSC-99776, ZINC17379871, AKOS006332282, AKOS015967411, AG-H-99277, SMR001570223, 3-(Hydroxy(oxido)amino)-5,6-dimethyl-2-pyridinol

IUPAC Name

5,6-dimethyl-3-nitro-1H-pyridin-2-one

Canonical SMILES

CC1=C(NC(=O)C(=C1)[N+](=O)[O-])C

InChI Key

AAODRZMUIIDRJX-UHFFFAOYSA-N

Exact Mass

168.05300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

The molecular formula of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is C7H8N2O3.

When was 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE created in PubChem?

5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE was created on 2005-03-26 in PubChem.

What is the molecular weight of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

The molecular weight of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is 168.15 g/mol.

What is the InChIKey of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

The InChIKey of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is AAODRZMUIIDRJX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE have?

5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE has 1 hydrogen bond donor count.

What is the XLogP3-AA value of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

The XLogP3-AA value of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is 0.5.

How many rotatable bond counts does 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE have?

5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE has 0 rotatable bond count.

What is the topological polar surface area of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

The topological polar surface area of 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is 74.9 Å².

Are there any defined atom stereocenter counts present in 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE?

There are 0 defined atom stereocenter counts present in 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE.

Is 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE a canonicalized compound according to PubChem?

Yes, 5,6-DIMETHYL-3-NITRO-1H-PYRIDIN-2-ONE is a canonicalized compound in PubChem.